SCHEMBL17766356

SCHEMBL17766356

Cc1cc2oc(=O)n(C(F)F)c2cc1-c1ccc(NC(=O)c2c(F)cccc2F)cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 12/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ STIM1 Q13586 2/20 0.42
▸ ORAI1 Q96D31 2/20 0.42
▸ TNF P01375 1/20 0.42
▸ WNT3A P56704 3/20 0.40
▸ CRACR2A Q9BSW2 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ GRM1 Q13255 1/20 0.38
▸ GRM4 Q14833 1/20 0.38

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 0.88 IL2 (0.49) IL2NPC1RAB9ASTIM1ORAI1
SCHEMBL17766379 0.88 IL2 (0.59) IL2STIM1ORAI1
SCHEMBL17766381 0.86 IL2 (0.57) IL2NPC1RAB9ASTIM1ORAI1
SCHEMBL16362400 0.85 IL2 (0.49) IL2NPC1RAB9ASTIM1ORAI1
SCHEMBL17766346 0.83 IL2 (0.54) IL2STIM1ORAI1TNF
SCHEMBL17766360 0.79 IL2 (0.57) IL2NPC1RAB9ASTIM1ORAI1
SCHEMBL16362056 0.78 IL2 (0.58) IL2NPC1RAB9ASTIM1ORAI1
SCHEMBL17766347 0.76 IL2 (0.59) IL2NPC1RAB9ASTIM1ORAI1
SCHEMBL8230263 0.75 IL2 (0.50) IL2NPC1RAB9ACRACR2ALMNA
SCHEMBL16362044 0.75 IL2 (0.64) IL2STIM1ORAI1

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 8 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

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 2831/4885NPC1 1879/4885RAB9A 1720/4885

“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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