SCHEMBL16783049

SCHEMBL16783049

COc1cc(C)c(-c2cc(C(=O)Nc3c(F)cccc3F)nn2C)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPY5R Q15761 1/20 0.42
▸ PDE4D Q08499 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ ORAI1 Q96D31 3/20 0.41
▸ STIM1 Q13586 2/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ PTGER1 P34995 1/20 0.39

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
SCHEMBL16782966 0.91 PDE4D (0.44) NPC1RAB9ASMN1; SMN2NPY5RPDE4D
SCHEMBL16804963 0.91 ORAI1 (0.39) NPC1RAB9ASMN1; SMN2PDE4DALDH1A1
SCHEMBL16783089 0.91 NPC1 (0.44) NPC1RAB9ASMN1; SMN2NPY5RPDE4D
SCHEMBL16783036 0.90 NPC1 (0.48) NPC1RAB9ASMN1; SMN2NPY5RPDE4D
SCHEMBL16783082 0.90 PDE4D (0.46) NPC1RAB9ASMN1; SMN2NPY5RPDE4D
SCHEMBL16783025 0.90 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2NPY5RPDE4D
SCHEMBL16782956 0.89 NPY5R (0.44) NPC1RAB9ASMN1; SMN2NPY5RPDE4D
SCHEMBL16782986 0.89 NPC1 (0.41) NPC1RAB9ASMN1; SMN2NPY5RPDE4D
SCHEMBL16783005 0.89 NPC1 (0.42) NPC1RAB9ASMN1; SMN2NPY5RPDE4D
SCHEMBL16783099 0.88 NPC1 (0.41) NPC1RAB9ASMN1; SMN2NPY5RPDE4D

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 7 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 claimed
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 NPC1 599/4885RAB9A 3615/4885SMN1; 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.

Send feedback