SCHEMBL3939017

SCHEMBL3939017

COc1ccc(C2=NNC(=O)CC2c2ccncc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.50
PDE3A Q14432 6/20 0.50
PDE4A P27815 3/20 0.50
PDE4B Q07343 3/20 0.50
PDE4C Q08493 3/20 0.50
PDE4D Q08499 3/20 0.50
ABCB11 O95342 1/20 0.47
MAOA P21397 1/20 0.47
ADORA2A P29274 1/20 0.47
GPR119 Q8TDV5 4/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
GFER P55789 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL1373505 0.90 PDE3B (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL4676078 0.84 CYP17A1 (0.41) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL1597944 0.83 AXL (0.41) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL3946685 0.80 PDE3A (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL16061282 0.80 MAPK8 (0.41) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL2844785 0.79 PDE3B (0.68) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10381883 0.75 PDE3B (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8871280 0.74 KDM4E (0.46) PDE3BPDE3AGPR119KDM4EGAA
SCHEMBL25395897 0.72 SIRT2 (0.46) PDE3BPDE3AGPR119KDM4EGAA
SCHEMBL22923578 0.71 CYP19A1 (0.45) PDE3BPDE3APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 PDE3B 1211/4885PDE3A 1800/4885PDE4A 3276/4885
US-20050267113-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, IL1R1, IRAK1 PDE3B 1177/4885PDE3A 1857/4885PDE4A 3431/4885
US-20090270399-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS IL1B, IL1R1, TLR1 PDE3B 1189/4885PDE3A 1811/4885PDE4A 3278/4885
US-20050065155-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, TLR1, IRAK1 PDE3B 1310/4885PDE3A 1955/4885PDE4A 3330/4885
US-20040147516-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, IRAK1, TLR1 PDE3B 1392/4885PDE3A 1884/4885PDE4A 3458/4885
US-20070049595-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, TLR1, IRAK1 PDE3B 1310/4885PDE3A 1955/4885PDE4A 3330/4885
US-20060160804-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, TLR1, IRAK1 PDE3B 1310/4885PDE3A 1955/4885PDE4A 3330/4885
US-20090069332-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS IL1B, IL1R1, TLR1 PDE3B 1189/4885PDE3A 1811/4885PDE4A 3278/4885
US-20020123496-A1 Novel pyridazine derivatives and medicines containing the same as effective ingredients IL1B, IRAK1, TLR1 PDE3B 1392/4885PDE3A 1884/4885PDE4A 3458/4885
US-20080119474-A1 NOVEL PYRIDAZINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS EFFECTIVE INGREDIENTS IL1B, IL1R1, TLR1 PDE3B 1211/4885PDE3A 1800/4885PDE4A 3276/4885

“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.