SCHEMBL2643786

SCHEMBL2643786

[NH]Cc1ccc(C(N)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.57
PLA2G2A P14555 1/20 0.57
PARP10 Q53GL7 9/20 0.53
CYP17A1 P05093 1/20 0.48
KMT2A Q03164 2/20 0.48
PARP4 Q9UKK3 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PARP15 Q460N3 1/20 0.48
PARP14 Q460N5 1/20 0.48
PARP16 Q8N5Y8 1/20 0.48
PARP11 Q9NR21 1/20 0.48
PARP1 P09874 3/20 0.48
TSHR P16473 2/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48

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
SCHEMBL6315091 0.82 PLA2G10 (0.53) PLA2G10PLA2G2APARP10CYP17A1KMT2A
SCHEMBL7134591 0.80 PLA2G10 (0.83) PLA2G10PLA2G2APARP10CYP17A1KMT2A
SCHEMBL13687230 0.79 PLA2G10 (0.55) PLA2G10PLA2G2APARP10CYP17A1KMT2A
Terephthalamide SCHEMBL23774 0.79 PARP1 (0.71) PLA2G10PLA2G2APARP10KMT2APARP4
Terephthalamide SCHEMBL3444098 0.78 LOXL2 (0.60) PLA2G10PLA2G2APARP10CYP17A1KMT2A
SCHEMBL2800579 0.78 PRSS1 (0.67) ALDH1A1CYP2C19HSD17B10F2PLG
SCHEMBL679717 0.78 ALDH1A1 (0.60) KMT2AALDH1A1TSHRPOLBMAPT
SCHEMBL873232 0.78 PRSS1 (0.60) PLA2G10PLA2G2APARP10CYP17A1KMT2A
SCHEMBL2642291 0.78 PLA2G10 (0.59) PLA2G10PLA2G2APARP10CYP17A1KMT2A
SCHEMBL509167 0.78 LOXL2 (0.60) PLA2G10PLA2G2APARP10CYP17A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US claimed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 US disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
US-4889869-A ANTIALDOSTERONISM AGENTS CIBA-GEIGY CORPORATION (US) 1989-12-26 US disclosed
US-4863903-A RENIN ENZYME INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1989-09-05 US disclosed
US-4758584-A Antihypertensive 5-amino-4-hydroxyvaleryl derivatives substituted by sulphur-containing groups CIBA-GEIGY CORPORATION (US) 1988-07-19 US disclosed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US disclosed
US-4719288-A HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1988-01-12 US disclosed
EP-0236734-A2 5-Amino-4-hydroxyvaleryl derivatives substituted by s-containing groups CIBA-GEIGY AG (CH) 1987-09-16 EP disclosed
US-4613676-A PEPTIDES CIBA-GEIGY CORPORATION (US) 1986-09-23 US disclosed
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 EP disclosed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 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 (4 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-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 PLA2G10 3932/4885PLA2G2A 3258/4885PARP10 3118/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 PLA2G10 3991/4885PLA2G2A 3344/4885PARP10 3045/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 PLA2G10 3932/4885PLA2G2A 3258/4885PARP10 3118/4885
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP PLA2G10 3182/4885PLA2G2A 3397/4885PARP10 2557/4885

“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.