SCHEMBL3828362

SCHEMBL3828362

O=C(Nc1ccc(C2=C(Cl)CCN(c3nccs3)C2)cn1)c1c(F)cccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
IL2 P60568 1/20 0.38
P2RX7 Q99572 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
CDC7 O00311 1/20 0.35
ROCK2 O75116 1/20 0.35
CDK8 P49336 1/20 0.35
ROCK1 Q13464 1/20 0.35
DYRK1A Q13627 1/20 0.35
LRRK2 Q5S007 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
STK17A Q9UEE5 1/20 0.35
DYRK1B Q9Y463 1/20 0.35

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
SCHEMBL986843 0.90 IL2 (0.41) MEN1KMT2ASMN1; SMN2IL2NPC1
SCHEMBL1780514 0.89 TRPV1 (0.43) SMN1; SMN2IL2P2RX7NPC1RAB9A
Hydrochloric Acid SCHEMBL15653854 0.89 IL2 (0.41) MEN1KMT2ASMN1; SMN2IL2NPC1
Hydrochloric Acid SCHEMBL1780957 0.88 TRPV1 (0.42) SMN1; SMN2IL2P2RX7NPC1RAB9A
SCHEMBL7920453 0.88 STIM1 (0.41) MEN1KMT2AIL2P2RX7NPC1
Hydrochloric Acid SCHEMBL1782812 0.87 STIM1 (0.41) MEN1KMT2AIL2P2RX7NPC1
SCHEMBL14093241 0.86 HTR1F (0.41) SMN1; SMN2TDP1NPC1RAB9AALDH1A1
SCHEMBL3826864 0.79 IL2 (0.38) MEN1KMT2ASMN1; SMN2TDP1IL2
SCHEMBL3809315 0.79 IL2 (0.40) MEN1KMT2ASMN1; SMN2TDP1IL2
SCHEMBL8234417 0.79 IL2 (0.42) MEN1KMT2AIL2NPC1RAB9A

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
EP-2086326-B1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-01-08 EP disclosed
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
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 (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 MEN1 4648/4885KMT2A 2678/4885SMN1; SMN2 4793/4885

“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.