SCHEMBL17776039

SCHEMBL17776039

CCc1c(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)cnc2oc(=O)n(C)c12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 15/20 0.52
▸ TNF P01375 1/20 0.52
▸ STIM1 Q13586 1/20 0.52
▸ ORAI1 Q96D31 1/20 0.52
▸ CHRNA7 P36544 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NOD2 Q9HC29 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
SCHEMBL17766377 0.88 IL2 (0.52) IL2TNFSTIM1ORAI1CHRNA7
SCHEMBL16362085 0.87 IL2 (0.60) IL2TNFSTIM1ORAI1NPC1
SCHEMBL16362081 0.80 IL2 (0.60) IL2TNFSTIM1ORAI1NPC1
SCHEMBL16362090 0.79 IL2 (0.52) IL2TNFSTIM1ORAI1CHRNA7
SCHEMBL16362412 0.79 IL2 (0.54) IL2TNFSTIM1ORAI1CHRNA7
SCHEMBL16362409 0.78 IL2 (0.46) IL2TNFSTIM1ORAI1
SCHEMBL15528169 0.78 IL2 (0.70) IL2TNFSTIM1ORAI1CHRNA7
SCHEMBL17766392 0.77 IL2 (0.49) IL2TNFSTIM1ORAI1MAPT
SCHEMBL17766351 0.77 IL2 (0.54) IL2TNFSTIM1ORAI1CHRNA7
SCHEMBL16362035 0.76 IL2 (0.54) IL2TNFSTIM1ORAI1CHRNA7

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 4 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 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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