SCHEMBL5149062

SCHEMBL5149062

O=C(O)Cc1ccc(-c2ccncc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.67
LMNA P02545 1/20 0.67
GAA P10253 1/20 0.67
TSHR P16473 1/20 0.67
PTGS1 P23219 1/20 0.67
HTT P42858 1/20 0.67
MMP12 P39900 1/20 0.56
MMP13 P45452 1/20 0.56
GSK3B P49841 3/20 0.55
CA2 P00918 1/20 0.54
CAMK2A Q9UQM7 1/20 0.54
AKR1B1 P15121 1/20 0.52
RXRA P19793 3/20 0.51
RXRB P28702 3/20 0.51
RXRG P48443 3/20 0.51
NAPRT Q6XQN6 1/20 0.50
FFAR1 O14842 1/20 0.50
WNT3A P56704 1/20 0.49
CYP17A1 P05093 1/20 0.49
KMT2A Q03164 2/20 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
SCHEMBL48554 0.87 AKR1B1 (0.61) ABCC4LMNAGAATSHRPTGS1
SCHEMBL68027 0.87 LMNA (0.86) ABCC4LMNAGAATSHRPTGS1
SCHEMBL18427891 0.87 LMNA (0.86) ABCC4LMNAGAATSHRPTGS1
SCHEMBL26114653 0.85 AKR1B1 (0.58) ABCC4LMNAGAATSHRPTGS1
SCHEMBL987989 0.85 AKR1B1 (0.58) ABCC4LMNAGAATSHRPTGS1
Hydrochloric Acid SCHEMBL367129 0.85 AKR1B1 (0.58) ABCC4LMNAGAATSHRPTGS1
Hydrochloric Acid SCHEMBL11097357 0.85 AKR1B1 (0.58) ABCC4LMNAGAATSHRPTGS1
Hydrochloric Acid SCHEMBL28071881 0.83 AKR1B1 (0.56) ABCC4LMNAGAATSHRPTGS1
SCHEMBL28103661 0.82 CYP17A1 (0.56) LMNAMMP12MMP13CA2WNT3A
SCHEMBL1725021 0.81 WNT3A (0.58) ABCC4LMNAGAATSHRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10251893-B2 N-(hetero)aryl, 2-(hetero)aryl-substituted acetamides for use as Wnt signaling modulators NOVARTIS AG (CH) 2019-04-09 US disclosed
US-20180000832-A1 N-(HETERO)ARYL, 2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS NOVARTIS AG (CH) 2018-01-04 US disclosed
US-20160082014-A1 N-(HETERO)ARYL, 2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS NOVARTIS AG (CH) 2016-03-24 US disclosed
US-20160082014-A1 N-(HETERO)ARYL, 2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS NOVARTIS AG (CH) 2016-03-24 US disclosed
US-9238646-B2 N-(hetero)aryl, 2-(hetero)aryl-substituted acetamides for use as WNT signaling modulators NOVARTIS AG (CH) 2016-01-19 US disclosed
US-9238646-B2 N-(hetero)aryl, 2-(hetero)aryl-substituted acetamides for use as WNT signaling modulators NOVARTIS AG (CH) 2016-01-19 US disclosed
CN-102731379-B N- (hetero)aryl, 2- (hetero)aryl-substituted acetamides for use as WNT signaling modulators IRM LLC 2015-05-06 CN disclosed
EP-2623493-B1 N-(HETERO)ARYL,2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS NOVARTIS AG (CH) 2015-04-22 EP disclosed
CN-102369187-B N- (hetero) aryl, 2- (hetero) aryl substituted acetamides as WNT signal modulators IRM LLC 2014-06-04 CN disclosed
US-20130310375-A1 N-(HETERO)ARYL, 2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS IRM LLC (BM) 2013-11-21 US disclosed
US-8546396-B2 N-(hetero)aryl, 2-(hetero)aryl—substituted acetamides for use as Wnt signaling modulators IRM LLC (BM) 2013-10-01 US disclosed
CN-102731379-A N- (hetero)aryl, 2- (hetero)aryl-substituted acetamides for use as wnt signaling modulators IRM LLC 2012-10-17 CN disclosed
CN-102369187-A N- (hetero) aryl, 2- (hetero) aryl substituted acetamides as WNT signal modulators IRM LLC 2012-03-07 CN disclosed
US-20110237573-A1 N- (HETERO)ARYL, 2- (HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS IRM LLC (BM) 2011-09-29 US disclosed
US-20110237573-A1 N- (HETERO)ARYL, 2- (HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS IRM LLC (BM) 2011-09-29 US disclosed
WO-2010101849-A1 N- (HETERO)ARYL, 2- (HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS IRM LLC (BM) 2010-09-10 WO disclosed
US-7211578-B2 Nitrogenous tetrahydropyridyl-alkyl-heterocycles with TNF activity SANOFI-AVENTIS (FR) 2007-05-01 US disclosed
US-20050004132-A1 Nitrogenous tetrahydropyridyl-alkyl-heterocycles with tnf activity SANOFI-AVENTIS (FR) 2005-01-06 US 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 (6 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-20130310375-A1 N-(HETERO)ARYL, 2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS WNT1, WNT3A, WNT3 ABCC4 1238/4885LMNA 4347/4885GAA 3990/4885
US-20160082014-A1 N-(HETERO)ARYL, 2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS WNT1, CTNNB1, CTNNA1 ABCC4 708/4885LMNA 3845/4885GAA 3054/4885
US-10251893-B2 N-(hetero)aryl, 2-(hetero)aryl-substituted acetamides for use as Wnt signaling modulators WNT1, CTNNB1, CTNNA1 ABCC4 708/4885LMNA 3845/4885GAA 3054/4885
US-20180000832-A1 N-(HETERO)ARYL, 2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS WNT1, CTNNB1, CTNNA1 ABCC4 708/4885LMNA 3845/4885GAA 3054/4885
US-20050004132-A1 Nitrogenous tetrahydropyridyl-alkyl-heterocycles with tnf activity TNF, TNFRSF1A, NFKBIA ABCC4 2792/4885LMNA 3216/4885GAA 1549/4885
US-20110237573-A1 N- (HETERO)ARYL, 2- (HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS WNT1, CTNNB1, WNT3A ABCC4 655/4885LMNA 3548/4885GAA 3707/4885

“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.