SCHEMBL16361891

SCHEMBL16361891

Cc1cc(NC(=O)c2c(F)cccc2F)ccc1-c1cnc2c(c1)oc(=O)n2C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 11/20 0.52
▸ TNF P01375 1/20 0.48
▸ STIM1 Q13586 1/20 0.48
▸ ORAI1 Q96D31 1/20 0.48
▸ RAB9A P51151 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ TP53 P04637 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ MAPT P10636 1/20 0.39

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
SCHEMBL17766349 0.83 IL2 (0.51) IL2TNFSTIM1ORAI1RAB9A
SCHEMBL16362036 0.79 IL2 (0.59) IL2TNFSTIM1ORAI1IDO1
SCHEMBL16362398 0.79 IL2 (0.63) IL2TNFSTIM1ORAI1RAB9A
SCHEMBL16362400 0.79 IL2 (0.49) IL2TNFSTIM1ORAI1RAB9A
SCHEMBL16362081 0.78 IL2 (0.60) IL2TNFSTIM1ORAI1RAB9A
SCHEMBL16321557 0.78 IL2 (0.49) IL2TNFSTIM1ORAI1RAB9A
SCHEMBL17766404 0.78 IL2 (0.62) IL2TNFSTIM1ORAI1RAB9A
SCHEMBL17766403 0.78 IL2 (0.58) IL2TNFSTIM1ORAI1
SCHEMBL15527940 0.77 IL2 (0.69) IL2TNFSTIM1ORAI1RAB9A
SCHEMBL16362412 0.77 IL2 (0.54) IL2TNFSTIM1ORAI1RAB9A

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
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-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
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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