SCHEMBL16362418

SCHEMBL16362418

CCc1c(-c2ccc(NC(=O)c3c(F)cccc3F)nc2)ccc2c1oc(=O)n2C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 15/20 0.46
▸ TNF P01375 1/20 0.41
▸ STIM1 Q13586 1/20 0.41
▸ ORAI1 Q96D31 1/20 0.41
▸ GPR55 Q9Y2T6 2/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RORC P51449 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ SCN9A Q15858 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
SCHEMBL16362415 0.88 IL2 (0.53) IL2TNFSTIM1ORAI1MEN1
SCHEMBL16362087 0.88 IL2 (0.50) IL2TNFSTIM1ORAI1GPR55
SCHEMBL16362409 0.87 IL2 (0.46) IL2TNFSTIM1ORAI1MEN1
SCHEMBL16362090 0.87 IL2 (0.52) IL2TNFSTIM1ORAI1MEN1
SCHEMBL16362393 0.84 IL2 (0.45) IL2TNFSTIM1ORAI1GPR55
SCHEMBL17766396 0.83 IL2 (0.51) IL2TNFSTIM1ORAI1GPR55
SCHEMBL16362416 0.83 IL2 (0.49) IL2TNFSTIM1ORAI1
SCHEMBL16361890 0.83 IL2 (0.51) IL2TNFSTIM1ORAI1GPR55
SCHEMBL17766378 0.79 IL2 (0.51) IL2TNFSTIM1ORAI1MEN1
SCHEMBL17766403 0.79 IL2 (0.58) IL2TNFSTIM1ORAI1GPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 — — US claimed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 — — US claimed
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 — — US disclosed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 — — US disclosed
WO-2014203217-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2014-12-24 — — 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-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS RYR2, NR2C2, CACNA1E IL2 2831/4885TNF 3546/4885STIM1 303/4885

“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.

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