SCHEMBL16783010

SCHEMBL16783010

Cc1cc(OC(F)(F)F)ncc1-c1cc(C(=O)Nc2c(F)cncc2F)nn1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 3/20 0.38
▸ ORAI1 Q96D31 3/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPY5R Q15761 1/20 0.35
▸ WNT3A P56704 1/20 0.33
▸ POLQ O75417 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ SCN10A Q9Y5Y9 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ABL1 P00519 3/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ CBLB Q13191 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32

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
SCHEMBL16782956 0.91 NPY5R (0.44) STIM1ORAI1NPC1RAB9ASMN1; SMN2
SCHEMBL16804963 0.89 ORAI1 (0.39) STIM1ORAI1NPC1RAB9ASMN1; SMN2
SCHEMBL16783061 0.87 RAB9A (0.43) STIM1ORAI1NPC1RAB9ASMN1; SMN2
SCHEMBL16783093 0.86 NPC1 (0.39) STIM1ORAI1NPC1RAB9ASMN1; SMN2
SCHEMBL16783027 0.85 NPC1 (0.38) STIM1ORAI1NPC1RAB9ASMN1; SMN2
SCHEMBL16782952 0.84 STIM1 (0.43) STIM1ORAI1NPC1RAB9ASMN1; SMN2
SCHEMBL16783095 0.84 RAB9A (0.42) STIM1ORAI1NPC1RAB9ASMN1; SMN2
SCHEMBL16804978 0.83 PTGER1 (0.44) STIM1ORAI1NPC1RAB9ASMN1; SMN2
SCHEMBL16782989 0.82 WDR5 (0.37) STIM1ORAI1NPC1RAB9ASMN1; SMN2
SCHEMBL16808951 0.81 MMP2 (0.37) NPC1SMN1; SMN2KDM4EPOLQMEN1

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-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — US claimed
WO-2015090579-A1 PYRAZOLYL-BASED CARBOXAMIDES IV Grünenthal GmbH (DE) 2015-06-25 — — WO disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — US disclosed
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 STIM1 1469/4885ORAI1 2913/4885NPC1 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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