SCHEMBL12302791

SCHEMBL12302791

Fc1cc(-c2ccc(Br)cc2F)ccn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 2/20 0.50
▸ FEN1 P39748 2/20 0.50
▸ ADORA2B P29275 3/20 0.45
▸ DYRK1A Q13627 2/20 0.41
▸ NFATC1 O95644 1/20 0.41
▸ PARP10 Q53GL7 1/20 0.40
▸ PARP11 Q9NR21 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ ADORA2A P29274 1/20 0.39
▸ WNT3A P56704 2/20 0.38
▸ MAP4K4 O95819 2/20 0.38
▸ MINK1 Q8N4C8 2/20 0.38
▸ TNIK Q9UKE5 2/20 0.38
▸ S1PR1 P21453 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.34

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
SCHEMBL2658421 0.79 IMPDH2 (0.49) ALOX5APFEN1
SCHEMBL12302782 0.79 WNT3A (0.43) ALOX5APFEN1ADORA2BDYRK1ANFATC1
SCHEMBL9179259 0.77 FEN1 (0.55) ALOX5APFEN1MAPK1
SCHEMBL255652 0.74 — —
SCHEMBL17430293 0.73 ADORA2B (0.36) ADORA2BDYRK1ANFATC1PARP10PARP11
SCHEMBL31310573 0.73 DGAT1 (0.46) ALOX5APFEN1
SCHEMBL22068158 0.73 IDO1 (0.55) ADORA2BDYRK1ANFATC1IDO1ADORA2A
SCHEMBL14520998 0.73 DGAT1 (0.46) ALOX5APFEN1
SCHEMBL25280685 0.73 MAPK1 (0.47) ADORA2BDYRK1ANFATC1PARP10PARP11
SCHEMBL30389154 0.72 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

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-20130310375-A1 N-(HETERO)ARYL, 2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS WNT1, WNT3A, WNT3 ALOX5AP 1822/4885FEN1 4729/4885ADORA2B 1187/4885
US-20160082014-A1 N-(HETERO)ARYL, 2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS WNT1, CTNNB1, CTNNA1 ALOX5AP 1305/4885FEN1 4729/4885ADORA2B 564/4885
US-20180000832-A1 N-(HETERO)ARYL, 2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS WNT1, CTNNB1, CTNNA1 ALOX5AP 1305/4885FEN1 4729/4885ADORA2B 564/4885
US-20110237573-A1 N- (HETERO)ARYL, 2- (HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS WNT1, CTNNB1, WNT3A ALOX5AP 1253/4885FEN1 4795/4885ADORA2B 170/4885

“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.

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