SCHEMBL3945748

SCHEMBL3945748

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IL2 P60568 4/20 0.44
USP30 Q70CQ3 6/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SCN9A Q15858 3/20 0.37
WNT3A P56704 1/20 0.37
CYP1A2 P05177 1/20 0.36
SCN5A Q14524 1/20 0.36

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
SCHEMBL3809315 0.89 IL2 (0.40) IL2USP30MEN1KMT2ANPC1
SCHEMBL1780921 0.86 IL2 (0.44) IL2USP30MEN1KMT2ANPC1
SCHEMBL989379 0.85 MEN1 (0.44) IL2USP30MEN1KMT2ANPC1
SCHEMBL616649 0.81 IL2 (0.45) IL2KDM4EALDH1A1GAA
SCHEMBL8194123 0.81 IL2 (0.47) IL2MEN1KMT2ANPC1RAB9A
SCHEMBL4999794 0.81 IL2 (0.46) IL2RAB9AGAA
SCHEMBL613599 0.80 IL2 (0.42) IL2MEN1KMT2ANPC1RAB9A
SCHEMBL613596 0.80 ALDH1A1 (0.52) IL2MEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL616896 0.80 IL2 (0.42) IL2MEN1KMT2ANPC1RAB9A
SCHEMBL8193950 0.79 IL2 (0.43) IL2MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086326-B1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-01-08 EP disclosed
EP-2086326-A2 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2009-08-12 EP 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 (1 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 28/4885USP30 2212/4885MEN1 4648/4885

“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.