SCHEMBL17697811

SCHEMBL17697811

CN1C(=O)COc2cc(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)c(C3CC3)cc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 11/20 0.48
▸ STIM1 Q13586 1/20 0.47
▸ ORAI1 Q96D31 1/20 0.47
▸ ORAI2 Q96SN7 1/20 0.47
▸ MAP3K5 Q99683 1/20 0.43
▸ CRACR2A Q9BSW2 3/20 0.40
▸ PRKCQ Q04759 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.38
▸ HTR1F P30939 1/20 0.38
▸ HCRTR1 O43613 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
SCHEMBL16362102 0.97 IL2 (0.48) IL2STIM1ORAI1ORAI2MAP3K5
SCHEMBL16361892 0.94 STIM1 (0.49) IL2STIM1ORAI1ORAI2MAP3K5
SCHEMBL17697815 0.90 CRACR2A (0.47) IL2MAP3K5CRACR2A
SCHEMBL17697817 0.89 IL2 (0.46) IL2MAP3K5PRKCQGPR55HTR1F
SCHEMBL17697823 0.89 IL2 (0.56) IL2STIM1ORAI1ORAI2MAP3K5
SCHEMBL16362057 0.87 IL2 (0.56) IL2STIM1ORAI1ORAI2MAP3K5
SCHEMBL16362448 0.86 IL2 (0.56) IL2STIM1ORAI1ORAI2MAP3K5
SCHEMBL16362058 0.86 IL2 (0.46) IL2MAP3K5CRACR2AGPR55HTR1F
SCHEMBL16362101 0.83 IL2 (0.46) IL2STIM1ORAI1ORAI2MAP3K5
SCHEMBL17697816 0.83 IL2 (0.47) IL2STIM1ORAI1MAP3K5CRACR2A

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
EP-3010586-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS Lupin Limited (IN) 2016-04-27 — — EP 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 2831/4885STIM1 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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