SCHEMBL16362399

SCHEMBL16362399

Cn1c(=O)oc2c(C3CC3)c(-c3ccc(NC(=O)c4c(F)cccc4Cl)cc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 7/20 0.53
▸ MAPT P10636 3/20 0.45
▸ GAA P10253 3/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TNF P01375 1/20 0.45
▸ STIM1 Q13586 1/20 0.45
▸ ORAI1 Q96D31 1/20 0.45
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HTR1F P30939 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TLR7 Q9NYK1 2/20 0.38
▸ TLR8 Q9NR97 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
SCHEMBL16362417 0.94 IL2 (0.50) IL2MAPTRAB9ATNFSTIM1
SCHEMBL16362421 0.86 MEN1 (0.44) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL16362096 0.82 IL2 (0.53) IL2MAPTGAARAB9ANPSR1
SCHEMBL17766391 0.82 IL2 (0.45) IL2MAPTRAB9ATNFSTIM1
SCHEMBL16362393 0.82 IL2 (0.45) IL2MAPTTNFSTIM1ORAI1
SCHEMBL17766368 0.81 IL2 (0.44) IL2RAB9ATNFSTIM1ORAI1
SCHEMBL17766348 0.81 CRACR2A (0.40) IL2MAPTRAB9ATNFSTIM1
SCHEMBL16362395 0.81 CRACR2A (0.47) IL2MAPTRAB9ATNFSTIM1
SCHEMBL17766372 0.81 MAPT (0.42) IL2MAPTGAATNFSTIM1
SCHEMBL16361887 0.80 IL2 (0.62) IL2MAPTTNFSTIM1ORAI1

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 IL2 2831/4885MAPT 4544/4885GAA 3605/4885

“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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