SCHEMBL16362054

SCHEMBL16362054

Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)oc(=O)n2C

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 17/20 0.65
▸ STIM1 Q13586 2/20 0.52
▸ ORAI1 Q96D31 2/20 0.52
▸ ORAI2 Q96SN7 1/20 0.52
▸ MAP4K1 Q92918 1/20 0.43
▸ RORC P51449 1/20 0.40
▸ TNF P01375 1/20 0.40

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
SCHEMBL16362044 0.97 IL2 (0.64) IL2STIM1ORAI1ORAI2MAP4K1
SCHEMBL16362094 0.89 IL2 (0.60) IL2STIM1ORAI1ORAI2RORC
SCHEMBL17766343 0.88 IL2 (0.59) IL2STIM1ORAI1ORAI2RORC
SCHEMBL17766403 0.87 IL2 (0.58) IL2STIM1ORAI1RORCTNF
SCHEMBL17766383 0.87 IL2 (0.55) IL2STIM1ORAI1ORAI2RORC
SCHEMBL16362400 0.86 IL2 (0.49) IL2STIM1ORAI1MAP4K1TNF
SCHEMBL17766390 0.86 IL2 (0.54) IL2STIM1ORAI1ORAI2RORC
SCHEMBL17766379 0.85 IL2 (0.59) IL2STIM1ORAI1ORAI2
SCHEMBL16320775 0.85 IL2 (0.57) IL2STIM1ORAI1RORCTNF
SCHEMBL16361888 0.84 IL2 (0.57) IL2STIM1ORAI1ORAI2RORC

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 2831/4885STIM1 303/4885ORAI1 6/4885

“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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