SCHEMBL10101324

SCHEMBL10101324

CC(=O)Nc1cnc(C2=C(C)CCN(Cc3ccccc3)C2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
BRS3 P32247 1/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GRIN2B Q13224 2/20 0.38
MAP3K5 Q99683 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38

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
SCHEMBL1782027 0.86 ALDH1A1 (0.52) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL4560056 0.77 MEN1 (0.55) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL16795975 0.76 KDM4E (0.52) KDM4EALDH1A1KMT2AMEN1BRS3
SCHEMBL8192641 0.74 ALDH1A1 (0.50) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL7920737 0.72 MAP3K5 (0.37) MAP3K5
SCHEMBL613596 0.72 ALDH1A1 (0.52) KDM4EALDH1A1KMT2AMEN1HSD17B10
SCHEMBL8194801 0.69 PRMT5 (0.42) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL3824868 0.68 CYP3A4 (0.42) KMT2AMEN1TSHRSMN1; SMN2LMNA
SCHEMBL14544155 0.67 NAMPT (0.53) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL14544117 0.67 MOK (0.48) KDM4EALDH1A1KMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349841-B2 Vinyl-aryl derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-01-08 US disclosed
US-8349841-B2 Vinyl-aryl derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-01-08 US disclosed
US-20120040997-A9 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2012-02-16 US disclosed
US-20120040997-A9 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2012-02-16 US disclosed
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-18 US disclosed
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-18 US disclosed
WO-2009017831-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 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-20120040997-A9 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP KDM4E 444/4885ALDH1A1 407/4885KMT2A 1535/4885
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP KDM4E 444/4885ALDH1A1 407/4885KMT2A 1535/4885

“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.