SCHEMBL16782952

SCHEMBL16782952

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 4/20 0.43
▸ ORAI1 Q96D31 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GRM5 P41594 1/20 0.36
▸ NPY5R Q15761 1/20 0.34
▸ POLQ O75417 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PLA2G10 O15496 1/20 0.33
▸ BAZ2B Q9UIF8 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ EED O75530 1/20 0.32
▸ RBBP4 Q09028 1/20 0.32
▸ SUZ12 Q15022 1/20 0.32
▸ EZH2 Q15910 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
SCHEMBL16782968 0.90 NPY5R (0.44) STIM1ORAI1SMN1; SMN2NPC1RAB9A
SCHEMBL16782958 0.86 NPC1 (0.40) STIM1ORAI1SMN1; SMN2NPC1RAB9A
SCHEMBL16804963 0.86 ORAI1 (0.39) STIM1ORAI1SMN1; SMN2NPC1RAB9A
SCHEMBL16783061 0.85 RAB9A (0.43) STIM1ORAI1SMN1; SMN2NPC1RAB9A
SCHEMBL16783010 0.84 STIM1 (0.38) STIM1ORAI1SMN1; SMN2NPC1RAB9A
SCHEMBL16783093 0.84 NPC1 (0.39) STIM1ORAI1SMN1; SMN2NPC1RAB9A
SCHEMBL16856690 0.84 NPC1 (0.39) STIM1ORAI1SMN1; SMN2NPC1RAB9A
SCHEMBL16783097 0.83 STIM1 (0.39) STIM1ORAI1SMN1; SMN2NPC1RAB9A
SCHEMBL16783027 0.82 NPC1 (0.38) STIM1ORAI1SMN1; SMN2NPC1RAB9A
SCHEMBL16783095 0.81 RAB9A (0.42) STIM1ORAI1SMN1; SMN2NPC1RAB9A

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 6 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
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
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 2913/4885SMN1; SMN2 2629/4885

“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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