SCHEMBL17766384

SCHEMBL17766384

Cc1cnccc1NC(=O)c1ccc(-c2cc3c(cc2C)oc(=O)n3C)s1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 2/20 0.57
▸ STIM1 Q13586 3/20 0.47
▸ ORAI1 Q96D31 3/20 0.47
▸ MAPK11 Q15759 6/20 0.41
▸ MAPK14 Q16539 6/20 0.41
▸ MAPK13 O15264 3/20 0.41
▸ MAPK12 P53778 3/20 0.41
▸ IKBKE Q14164 1/20 0.37
▸ TBK1 Q9UHD2 1/20 0.37
▸ S1PR2 O95136 1/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAP4K1 Q92918 1/20 0.34

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
SCHEMBL17766353 0.83 STIM1 (0.43) IL2STIM1ORAI1MAPK11MAPK14
SCHEMBL17766374 0.83 STIM1 (0.50) IL2STIM1ORAI1MAPK11MAPK14
SCHEMBL16362066 0.79 STIM1 (0.58) IL2STIM1ORAI1S1PR2S1PR4
SCHEMBL17766401 0.76 STIM1 (0.59) IL2STIM1ORAI1S1PR2S1PR4
SCHEMBL8261510 0.73 IL2 (0.79) IL2STIM1ORAI1MAPK11MAPK14
SCHEMBL5273629 0.73 IL2 (1.00) IL2MAPK11MAPK14MAPK13MAPK12
SCHEMBL15942551 0.73 IL2 (0.83) IL2STIM1ORAI1MAPK11MAPK14
SCHEMBL8261504 0.73 IL2 (0.68) IL2STIM1ORAI1MAPK11MAPK14
SCHEMBL15528193 0.71 IL2 (0.47) IL2STIM1ORAI1MAPK11MAPK14
SCHEMBL5274000 0.70 IL2 (0.83) IL2STIM1ORAI1MAPK11MAPK14

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 6 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

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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