SCHEMBL395735

SCHEMBL395735

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 2/20 0.43
SLC16A3 O15427 1/20 0.42
P2RX7 Q99572 6/20 0.40
PKM P14618 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
NR1I3 Q14994 1/20 0.36
CHRM1 P11229 1/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
TACR3 P29371 1/20 0.35

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
SCHEMBL3945552 0.90 MEN1 (0.44) MARS1SLC16A3KMT2ANR1I3ALDH1A1
SCHEMBL393900 0.88 MARS1 (0.47) MARS1SLC16A3P2RX7KMT2APTGS1
SCHEMBL7735112 0.84 PTGS2 (0.54) MARS1SLC16A3PTGS1PTGS2
SCHEMBL5577174 0.83 MARS1 (0.45) MARS1SLC16A3P2RX7KMT2APTGS1
SCHEMBL3943311 0.81 RAB9A (0.47) MARS1SLC16A3KMT2ANR1I3MAPK1
SCHEMBL390854 0.80 MAPK13 (0.40) KMT2APTGS2ALDH1A1
SCHEMBL396392 0.80 MEN1 (0.43) PKMKMT2AMAPK1KDM4EALDH1A1
SCHEMBL395065 0.79 ALDH1A1 (0.41) SLC16A3ALDH1A1MAPT
SCHEMBL3941886 0.78 MAPK14 (0.43) MARS1KMT2APTGS1PTGS2GRIN1
SCHEMBL395928 0.77 MEN1 (0.58) MARS1KMT2AKDM4EALDH1A1MAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1043317-B1 PYRIDAZINE DERIVATIVES AND MEDICAMENTS CONTAINING THEM AS ACTIVE INGREDIENT KOWA CO (JP) 2009-04-15 EP 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-20070049595-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2007-03-01 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
US-20050267113-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients KOWA CO., LTD. (JP) 2005-12-01 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 (7 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 2145/4885SLC16A3 3419/4885P2RX7 383/4885
US-20050267113-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, IL1R1, IRAK1 MARS1 1891/4885SLC16A3 3697/4885P2RX7 421/4885
US-20040147516-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, IRAK1, TLR1 MARS1 1928/4885SLC16A3 3421/4885P2RX7 536/4885
US-20070049595-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, TLR1, IRAK1 MARS1 1917/4885SLC16A3 3483/4885P2RX7 449/4885
US-20060160804-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, TLR1, IRAK1 MARS1 1917/4885SLC16A3 3483/4885P2RX7 449/4885
US-20020123496-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, IRAK1, TLR1 MARS1 1928/4885SLC16A3 3421/4885P2RX7 536/4885
US-20080119474-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS IL1B, IL1R1, TLR1 MARS1 2145/4885SLC16A3 3419/4885P2RX7 383/4885

“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.