SCHEMBL16804963

SCHEMBL16804963

COc1cc(C)c(-c2cc(C(=O)Nc3c(F)cncc3F)nn2C)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ORAI1 Q96D31 3/20 0.39
▸ STIM1 Q13586 2/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ POLQ O75417 2/20 0.38
▸ NNMT P40261 1/20 0.38
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ EED O75530 2/20 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
SCHEMBL16783049 0.91 NPC1 (0.42) ORAI1STIM1NPC1RAB9ASMN1; SMN2
SCHEMBL16783061 0.90 RAB9A (0.43) ORAI1STIM1NPC1RAB9ASMN1; SMN2
SCHEMBL16783055 0.90 STIM1 (0.39) ORAI1STIM1NPC1RAB9ASMN1; SMN2
SCHEMBL16783010 0.89 STIM1 (0.38) ORAI1STIM1NPC1RAB9ASMN1; SMN2
SCHEMBL16783093 0.89 NPC1 (0.39) ORAI1STIM1NPC1RAB9ASMN1; SMN2
SCHEMBL16783027 0.88 NPC1 (0.38) ORAI1STIM1NPC1RAB9ASMN1; SMN2
SCHEMBL16782952 0.86 STIM1 (0.43) ORAI1STIM1NPC1RAB9ASMN1; SMN2
SCHEMBL16783095 0.86 RAB9A (0.42) ORAI1STIM1NPC1RAB9ASMN1; SMN2
SCHEMBL16856690 0.85 NPC1 (0.39) ORAI1STIM1NPC1RAB9ASMN1; SMN2
SCHEMBL16804978 0.85 PTGER1 (0.44) ORAI1STIM1NPC1RAB9ASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — 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-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES AADAC, NLRP3, NOD2 ORAI1 2913/4885STIM1 1469/4885NPC1 599/4885

“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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