SCHEMBL7070258

SCHEMBL7070258

NCc1ccc2[nH]c(Cc3nc4cc(C(=O)NCc5ccccc5)ccc4[nH]3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.53
CFD P00746 1/20 0.52
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP2D6 P10635 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
TSHR P16473 1/20 0.47
MAPK10 P53779 1/20 0.47
HTR2C P28335 1/20 0.47
IMPDH2 P12268 1/20 0.47
MAPT P10636 3/20 0.46
KLK1 P06870 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
LOX P28300 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
MAPK3 P27361 1/20 0.45

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
SCHEMBL7073473 0.94 HTR2C (0.47) PLAUCFDADORA3ADORA2AADORA2B
SCHEMBL7068309 0.90 NAMPT (0.50) TSHRMAPTMAPK3MAPK1KDM4E
SCHEMBL7072715 0.88 CSNK1D (0.50) PLAUCFDCYP2C9CYP2C19CYP2D6
SCHEMBL7069769 0.88 POLB (0.50) KDM4EALDH1A1POLBSMN1; SMN2HDAC6
SCHEMBL7400914 0.87 HDAC6 (0.49) CYP2C9CYP2C19CYP2D6MAPTKDM4E
SCHEMBL7074425 0.86 ALDH1A1 (0.46) PLAUTSHRMAPTMAPK1ALDH1A1
SCHEMBL7071815 0.85 ALDH1A1 (0.44) MAPTMAPK1ALDH1A1POLBTHRB
SCHEMBL7069837 0.85 ALDH1A1 (0.47) CYP2C9CYP2C19MAPTMAPK1MEN1
SCHEMBL7075818 0.84 NPC1 (0.55) CYP2C19CYP2D6TSHRMAPTLOX
SCHEMBL7068397 0.84 HDAC6 (0.42) CYP2C9CYP2C19TSHRMAPK10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 US disclosed
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 EP disclosed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 WO 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 (2 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 PLAU 306/4885CFD 596/4885ADORA3 1569/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 PLAU 1230/4885CFD 1406/4885ADORA3 1264/4885

“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.