SCHEMBL17766345

SCHEMBL17766345

Cn1c(=O)oc2cc(-c3ccc(C(=O)Nc4c(F)cccc4F)cc3)c(C3CC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CRACR2A Q9BSW2 3/20 0.42
▸ IL2 P60568 4/20 0.39
▸ PDE4D Q08499 3/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ TNF P01375 1/20 0.36
▸ STIM1 Q13586 1/20 0.36
▸ ORAI1 Q96D31 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ ASAH1 Q13510 1/20 0.35
▸ BDKRB1 P46663 1/20 0.34

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
SCHEMBL16362095 0.91 KDM1A (0.39) CRACR2AIL2KDM1AALDH1A1HPGD
SCHEMBL16321066 0.88 KDM1A (0.39) CRACR2AIL2KDM1AALDH1A1HPGD
SCHEMBL17766365 0.86 IL2 (0.54) CRACR2AIL2TNFSTIM1ORAI1
SCHEMBL16362086 0.85 IL2 (0.46) IL2PDE4DALDH1A1HPGDMAOA
SCHEMBL17766380 0.84 STIM1 (0.47) IL2MAOAMAOBSTIM1ORAI1
SCHEMBL17766394 0.84 IL2 (0.45) IL2PDE4DALDH1A1HPGDMAOA
SCHEMBL17766400 0.83 IL2 (0.53) CRACR2AIL2TNFSTIM1ORAI1
SCHEMBL17766376 0.82 STIM1 (0.46) IL2MAOAMAOBSTIM1ORAI1
SCHEMBL17766389 0.81 IL2 (0.49) CRACR2AIL2TNFSTIM1ORAI1
SCHEMBL17766348 0.81 CRACR2A (0.40) CRACR2AIL2PDE4DPDE4APDE4B

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 CRACR2A 34/4885IL2 2831/4885PDE4D 1323/4885

“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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