SCHEMBL17766394

SCHEMBL17766394

Cc1cc2oc(=O)n(C)c2cc1-c1ccc(C(=O)Nc2c(F)cccc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 7/20 0.45
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ STIM1 Q13586 2/20 0.40
▸ ORAI1 Q96D31 2/20 0.40
▸ TNF P01375 1/20 0.40
▸ PDE4D Q08499 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ PKM P14618 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
SCHEMBL16362086 0.97 IL2 (0.46) IL2ALDH1A1HPGDSTIM1ORAI1
SCHEMBL17766404 0.84 IL2 (0.62) IL2STIM1ORAI1TNFKDM4E
SCHEMBL17766345 0.84 CRACR2A (0.42) IL2ALDH1A1HPGDSTIM1ORAI1
SCHEMBL17766402 0.82 IL2 (0.59) IL2STIM1ORAI1TNFKDM4E
SCHEMBL16362398 0.81 IL2 (0.63) IL2STIM1ORAI1TNFKDM4E
SCHEMBL16362066 0.81 STIM1 (0.58) IL2STIM1ORAI1MAOAMAOB
SCHEMBL17766373 0.81 MAPT (0.55) IL2ALDH1A1HPGDSTIM1ORAI1
SCHEMBL16362053 0.80 STIM1 (0.40) STIM1ORAI1MAOAMAOBKDM4E
SCHEMBL16362040 0.80 IL2 (0.59) IL2STIM1ORAI1TNFMAPT
SCHEMBL16320775 0.79 IL2 (0.57) IL2STIM1ORAI1TNF

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 8 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-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 2831/4885ALDH1A1 2668/4885HPGD 3251/4885

“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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