SCHEMBL16362400

SCHEMBL16362400

Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)cn1)oc(=O)n2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 12/20 0.49
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ TNF P01375 1/20 0.46
▸ STIM1 Q13586 1/20 0.46
▸ ORAI1 Q96D31 1/20 0.46
▸ CRACR2A Q9BSW2 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ WNT3A P56704 1/20 0.40
▸ GRM1 Q13255 1/20 0.40
▸ GRM4 Q14833 1/20 0.40
▸ MAP4K1 Q92918 1/20 0.39
▸ DYRK3 O43781 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ PRKCG P05129 1/20 0.39
▸ LCK P06239 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
SCHEMBL16321557 0.97 IL2 (0.49) IL2RAB9ANPC1TNFSTIM1
SCHEMBL17766347 0.89 IL2 (0.59) IL2RAB9ANPC1TNFSTIM1
SCHEMBL16362056 0.88 IL2 (0.58) IL2RAB9ANPC1TNFSTIM1
SCHEMBL16362054 0.86 IL2 (0.65) IL2TNFSTIM1ORAI1MAP4K1
SCHEMBL17766356 0.85 IL2 (0.46) IL2RAB9ANPC1TNFSTIM1
SCHEMBL17766349 0.85 IL2 (0.51) IL2RAB9ANPC1TNFSTIM1
SCHEMBL16362398 0.85 IL2 (0.63) IL2RAB9ANPC1TNFSTIM1
SCHEMBL16362044 0.84 IL2 (0.64) IL2STIM1ORAI1MAP4K1
SCHEMBL16362084 0.84 IL2 (0.48) IL2RAB9ANPC1TNFSTIM1
SCHEMBL17766404 0.82 IL2 (0.62) IL2RAB9ANPC1TNFSTIM1

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 9 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-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
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 2831/4885RAB9A 1720/4885NPC1 1879/4885

“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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