SCHEMBL10101258

SCHEMBL10101258

CC1=C(c2ccc(NC(=O)c3c(F)cccc3F)nc2)CN(C(=O)c2ccccn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 5/20 0.45
MAP3K5 Q99683 1/20 0.41
NAMPT P43490 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 4/20 0.39
SYK P43405 1/20 0.39
RAB9A P51151 3/20 0.38
TP53 P04637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PKM P14618 1/20 0.38
HTR1A P08908 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR1F P30939 1/20 0.37

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
Hydrochloric Acid SCHEMBL614495 0.99 IL2 (0.44) IL2MAP3K5NAMPTL3MBTL1ALDH1A1
SCHEMBL613599 0.84 IL2 (0.42) IL2MAP3K5NAMPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL616896 0.83 IL2 (0.42) IL2MAP3K5NAMPTALDH1A1SMN1; SMN2
SCHEMBL616649 0.83 IL2 (0.45) IL2MAP3K5ALDH1A1KDM4EGAA
SCHEMBL8194123 0.83 IL2 (0.47) IL2ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8193950 0.81 IL2 (0.43) IL2NAMPTALDH1A1SMN1; SMN2NPC1
SCHEMBL3945748 0.79 IL2 (0.44) IL2ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL613596 0.79 ALDH1A1 (0.52) IL2MAP3K5L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL13935655 0.78 IL2 (0.41) IL2ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL986843 0.77 IL2 (0.41) IL2ALDH1A1SMN1; SMN2NPC1RAB9A

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 6 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

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 IL2 26/4885MAP3K5 1602/4885NAMPT 1661/4885
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP IL2 26/4885MAP3K5 1602/4885NAMPT 1661/4885

“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.