SCHEMBL17766368

SCHEMBL17766368

O=C(Nc1ccc(-c2ccc3c(oc(=O)n3C(F)F)c2C2CC2)cc1)c1c(F)cccc1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 12/20 0.44
▸ TNF P01375 1/20 0.44
▸ STIM1 Q13586 1/20 0.44
▸ ORAI1 Q96D31 1/20 0.44
▸ CRACR2A Q9BSW2 3/20 0.38
▸ NPC1 O15118 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NOD2 Q9HC29 1/20 0.36

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
SCHEMBL16362417 0.87 IL2 (0.50) IL2TNFSTIM1ORAI1CRACR2A
SCHEMBL16362399 0.81 IL2 (0.53) IL2TNFSTIM1ORAI1NPC1
SCHEMBL16362421 0.77 MEN1 (0.44) NPC1TP53RAB9ASMN1; SMN2HTT
SCHEMBL16362410 0.76 IL2 (0.50) IL2TNFSTIM1ORAI1CRACR2A
SCHEMBL17766391 0.76 IL2 (0.45) IL2TNFSTIM1ORAI1CRACR2A
SCHEMBL17766381 0.76 IL2 (0.57) IL2TNFSTIM1ORAI1NPC1
SCHEMBL16362393 0.75 IL2 (0.45) IL2TNFSTIM1ORAI1CRACR2A
SCHEMBL17766372 0.74 MAPT (0.42) IL2TNFSTIM1ORAI1TP53
SCHEMBL16362395 0.74 CRACR2A (0.47) IL2TNFSTIM1ORAI1CRACR2A
SCHEMBL17766348 0.74 CRACR2A (0.40) IL2TNFSTIM1ORAI1CRACR2A

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 2831/4885TNF 3546/4885STIM1 303/4885

“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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