SCHEMBL16804978

SCHEMBL16804978

Cc1cc(OCc2ccccc2)ncc1-c1cc(C(=O)Nc2c(F)cncc2F)nn1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 5/20 0.44
▸ STIM1 Q13586 2/20 0.43
▸ ORAI1 Q96D31 2/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ PPARG P37231 1/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CXCR2 P25025 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NTRK1 P04629 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.35
▸ PKM P14618 1/20 0.35

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
SCHEMBL16804969 0.94 PTGER1 (0.51) PTGER1STIM1ORAI1SMN1; SMN2NPC1
SCHEMBL16783061 0.87 RAB9A (0.43) STIM1ORAI1SMN1; SMN2NPC1RAB9A
SCHEMBL16804963 0.85 ORAI1 (0.39) STIM1ORAI1SMN1; SMN2NPC1RAB9A
SCHEMBL16783095 0.84 RAB9A (0.42) STIM1ORAI1SMN1; SMN2NPC1RAB9A
SCHEMBL16782998 0.83 PKM (0.42) SMN1; SMN2NPC1RAB9APPARGMEN1
SCHEMBL16804953 0.83 MDM2 (0.46) PTGER1PPARGMEN1KMT2AKDM4E
SCHEMBL16783005 0.83 NPC1 (0.42) PTGER1STIM1ORAI1SMN1; SMN2NPC1
SCHEMBL16783036 0.83 NPC1 (0.48) PTGER1STIM1ORAI1SMN1; SMN2NPC1
SCHEMBL16783093 0.83 NPC1 (0.39) STIM1ORAI1SMN1; SMN2NPC1RAB9A
SCHEMBL16783010 0.83 STIM1 (0.38) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTGER1 244/4885STIM1 1469/4885ORAI1 2913/4885

“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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