SCHEMBL7072038

SCHEMBL7072038

CCOC(=O)c1nc2cnccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.48
KDM5B Q9UGL1 1/20 0.48
MMP13 P45452 3/20 0.46
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
MMP2 P08253 2/20 0.45
MMP14 P50281 2/20 0.45
CDC7 O00311 4/20 0.43
DBF4 Q9UBU7 4/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
CYP1A2 P05177 2/20 0.41
FGFR2 P21802 1/20 0.40

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
SCHEMBL159763 0.84 ALDH1A1 (0.44) PKN1PKN2KDM4EALDH1A1HPGD
SCHEMBL4927788 0.82 KDM4C (0.60) KDM5AKDM5BKDM4EALDH1A1HPGD
SCHEMBL4296230 0.81 HSD17B10 (0.61) KDM4EALDH1A1HPGDRECQLMAPT
SCHEMBL7069781 0.77 KMT2A (0.49) KDM5AKDM5BMMP13PKN1PKN2
SCHEMBL7288978 0.76 KDM4E (0.40) KDM5AKDM4EALDH1A1MAPTKMT2A
SCHEMBL2445669 0.76 ALDH1A1 (0.51) MMP13KDM4EALDH1A1HPGDHTT
SCHEMBL16792659 0.76 SIRT2 (0.50) MMP13KDM4EALDH1A1HPGDHTT
SCHEMBL2445509 0.76 GABRA1 (0.52) MMP13PKN1PKN2KDM4EALDH1A1
SCHEMBL7297473 0.76 DAGLA (0.39) KDM4EALDH1A1MAPTKMT2A
SCHEMBL7297464 0.76 DAGLA (0.39) KDM4EALDH1A1MAPTKMT2A

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 KDM5A 2174/4885KDM5B 1942/4885MMP13 35/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 KDM5A 1332/4885KDM5B 905/4885MMP13 81/4885

“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.