SCHEMBL393900

SCHEMBL393900

CSc1ccc(-c2nn(Cc3cccnc3)c(=O)cc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC16A3 O15427 1/20 0.44
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
P2RX7 Q99572 3/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CHRM1 P11229 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5577174 0.94 MARS1 (0.45) MARS1MEN1KMT2ASLC16A3LMNA
SCHEMBL3941886 0.90 MAPK14 (0.43) MARS1MEN1KMT2AALDH1A1NPSR1
SCHEMBL395928 0.90 MEN1 (0.58) MARS1MEN1KMT2ALMNAALDH1A1
SCHEMBL395735 0.88 MARS1 (0.43) MARS1KMT2ASLC16A3ALDH1A1MAPT
SCHEMBL3948221 0.85 PTGS2 (0.57) MARS1MEN1KMT2ASLC16A3PTGS1
SCHEMBL3939882 0.84 MARS1 (0.46) MARS1MEN1KMT2ASLC16A3LMNA
SCHEMBL3938949 0.84 MEN1 (0.52) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL5577160 0.81 LMNA (0.47) MARS1MEN1KMT2ASLC16A3LMNA
SCHEMBL394336 0.80 KMT2A (0.48) MARS1MEN1KMT2AALDH1A1MAPT
SCHEMBL392099 0.80 KMT2A (0.51) MEN1KMT2ALMNAALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009023411-A1 COMPOSITIONS AND METHODS FOR TREATING OR CONTROLLING ANTERIOR- AND POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH & LOMB INCORPORATED (US) 2009-02-19 WO claimed
US-20070021418-A1 Method of inhibiting production of osteopontin KOWA CO., LTD. (JP) 2007-01-25 US claimed
EP-1650195-A1 METHOD OF INHIBITING PRODUCTION OF OSTEOPONTIN Kowa Co., Ltd. (JP) 2006-04-26 EP claimed
US-6348468-B1 THESE COMPOUNDS HAVE EXCELLENT INHIBITORY ACTIVITY AGAINST INTERLEUKIN-1.BETA. PRODUCTION, IMMUNE SYSTEM DISEASES, INFLAMMATORY DISEASES, ISCHEMIC DISEASES AND THE LIKE. KOWA CO., LTD. (JP) 2002-02-19 US claimed
US-8101207-B2 Composition containing medicine extremely slightly soluble in water and method for preparation thereof KOWA CO., LTD. (JP) 2012-01-24 US disclosed
US-20090270399-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS KOWA CO., LTD. (JP) 2009-10-29 US disclosed
EP-1043317-B1 PYRIDAZINE DERIVATIVES AND MEDICAMENTS CONTAINING THEM AS ACTIVE INGREDIENT KOWA CO (JP) 2009-04-15 EP disclosed
US-20090069332-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS KOWA CO., LTD. (JP) 2009-03-12 US disclosed
WO-2009023411-A1 COMPOSITIONS AND METHODS FOR TREATING OR CONTROLLING ANTERIOR- AND POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH & LOMB INCORPORATED (US) 2009-02-19 WO disclosed
EP-2017266-A1 Pyridazine derivatives and medicines containing the same as effective ingredients Kowa Co., Ltd. (JP) 2009-01-21 EP disclosed
US-20080119474-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS KOWA CO., LTD. (JP) 2008-05-22 US disclosed
US-20070208025-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS KOWA CO., LTD. (JP) 2007-09-06 US disclosed
US-20060160804-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2006-07-20 US disclosed
EP-1650195-A1 METHOD OF INHIBITING PRODUCTION OF OSTEOPONTIN Kowa Co., Ltd. (JP) 2006-04-26 EP disclosed
US-20050267113-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2005-12-01 US disclosed
US-20050065155-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2005-03-24 US disclosed
US-20040147516-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2004-07-29 US disclosed
US-20020123496-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2002-09-05 US disclosed
US-6348468-B1 THESE COMPOUNDS HAVE EXCELLENT INHIBITORY ACTIVITY AGAINST INTERLEUKIN-1.BETA. PRODUCTION, IMMUNE SYSTEM DISEASES, INFLAMMATORY DISEASES, ISCHEMIC DISEASES AND THE LIKE. KOWA CO., LTD. (JP) 2002-02-19 US disclosed
EP-1043317-A1 NOVEL PYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Kowa Co., Ltd. (JP) 2000-10-11 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070208025-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS IL1B, IL1R1, TLR1 MARS1 2145/4885MEN1 4721/4885KMT2A 3295/4885
US-20050267113-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, IL1R1, IRAK1 MARS1 1891/4885MEN1 4680/4885KMT2A 3727/4885
US-20090270399-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS IL1B, IL1R1, TLR1 MARS1 2155/4885MEN1 4730/4885KMT2A 3265/4885
US-20050065155-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, TLR1, IRAK1 MARS1 1917/4885MEN1 4779/4885KMT2A 3177/4885
US-20040147516-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, IRAK1, TLR1 MARS1 1928/4885MEN1 4798/4885KMT2A 3861/4885
US-20060160804-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, TLR1, IRAK1 MARS1 1917/4885MEN1 4779/4885KMT2A 3177/4885
US-20070021418-A1 Method of inhibiting production of osteopontin HDGF, PGF, FGF23 MARS1 2975/4885MEN1 884/4885KMT2A 4691/4885
US-20090069332-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS IL1B, IL1R1, TLR1 MARS1 2155/4885MEN1 4730/4885KMT2A 3265/4885
US-20020123496-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, IRAK1, TLR1 MARS1 1928/4885MEN1 4798/4885KMT2A 3861/4885
US-20080119474-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS IL1B, IL1R1, TLR1 MARS1 2145/4885MEN1 4721/4885KMT2A 3295/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.