SCHEMBL627356

SCHEMBL627356

CC1=C(c2ccc(NC(=O)c3c(F)cccc3F)nc2)CNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 9/20 0.49
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA1 P78396 1/20 0.39
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
SCN9A Q15858 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
SCHEMBL1780134 0.85 IL2 (0.48) IL2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL12241368 0.79 IL2 (0.49) IL2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL3945748 0.77 IL2 (0.44) IL2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL12241365 0.76 IL2 (0.48) IL2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL12241343 0.76 IL2 (0.46) IL2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8194123 0.75 IL2 (0.47) IL2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL616649 0.75 IL2 (0.45) IL2ALDH1A1KDM4EGAA
SCHEMBL613599 0.75 IL2 (0.42) IL2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL613596 0.75 ALDH1A1 (0.52) IL2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL984197 0.74 MEN1 (0.48) IL2MEN1KMT2ASMN1; SMN2NPC1

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 13 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-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-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
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
US-20080207641-A1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 US disclosed
US-20080207641-A1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 US disclosed
WO-2008063504-A2 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-05-29 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 (3 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-20080207641-A1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR3, CCR9 IL2 28/4885MEN1 4648/4885KMT2A 2678/4885
US-20120040997-A9 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP IL2 26/4885MEN1 4794/4885KMT2A 1535/4885
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP IL2 26/4885MEN1 4794/4885KMT2A 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.