SCHEMBL3824403

SCHEMBL3824403

CN=C(SC)N1CCC(C)=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 12/20 0.43
STIM1 Q13586 1/20 0.39
ORAI1 Q96D31 1/20 0.39
ORAI2 Q96SN7 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
P2RX7 Q99572 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
HTT P42858 1/20 0.33
NOD2 Q9HC29 1/20 0.33
RORC P51449 1/20 0.33
HTR1A P08908 1/20 0.32
HTR1B P28222 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR1F P30939 1/20 0.32

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
SCHEMBL4999290 1.00 IL2 (0.43) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL4999288 1.00 IL2 (0.43) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL8193950 0.88 IL2 (0.43) IL2MEN1KMT2ANPC1RAB9A
SCHEMBL12603939 0.84 IL2 (0.45) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL7928293 0.84 IL2 (0.45) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL8198976 0.83 IL2 (0.41) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL7928314 0.83 IL2 (0.49) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL1780921 0.79 IL2 (0.44) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL10101255 0.79 IL2 (0.44) IL2STIM1ORAI1ORAI2MEN1
Hydrochloric Acid SCHEMBL614866 0.78 IL2 (0.44) IL2STIM1ORAI1ORAI2MEN1

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 28/4885STIM1 1766/4885ORAI1 1400/4885

“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.