SCHEMBL16362053

SCHEMBL16362053

Cc1cc2oc(=O)n(C)c2cc1-c1nc(C(=O)Nc2c(F)cccc2F)cs1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 1/20 0.40
▸ ORAI1 Q96D31 1/20 0.40
▸ PIM1 P11309 13/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL16362414 0.83 STIM1 (0.43) STIM1ORAI1KDM4EMAOAMAOB
SCHEMBL17766394 0.80 IL2 (0.45) STIM1ORAI1KDM4EMAOAMAOB
SCHEMBL16362066 0.79 STIM1 (0.58) STIM1ORAI1MAOAMAOBSMN1; SMN2
SCHEMBL16362086 0.77 IL2 (0.46) STIM1ORAI1KDM4EMAOAMAOB
SCHEMBL17766401 0.76 STIM1 (0.59) STIM1ORAI1MAOAMAOBSMN1; SMN2
SCHEMBL17766404 0.73 IL2 (0.62) STIM1ORAI1KDM4EMAPTRAB9A
SCHEMBL17766374 0.72 STIM1 (0.50) STIM1ORAI1
SCHEMBL16320775 0.72 IL2 (0.57) STIM1ORAI1
SCHEMBL16321557 0.71 IL2 (0.49) STIM1ORAI1PIM1LMNARAB9A
SCHEMBL16362044 0.71 IL2 (0.64) STIM1ORAI1

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 STIM1 303/4885ORAI1 6/4885PIM1 4369/4885

“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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