SCHEMBL16783095

SCHEMBL16783095

CCOc1cc(C)c(-c2cc(C(=O)Nc3c(C)cncc3F)nn2C)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ STIM1 Q13586 2/20 0.35
▸ ORAI1 Q96D31 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ S1PR2 O95136 2/20 0.34
▸ EED O75530 2/20 0.33
▸ SUZ12 Q15022 2/20 0.33
▸ EZH2 Q15910 2/20 0.33
▸ GCK P35557 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ POLQ O75417 1/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ PHGDH O43175 1/20 0.31

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
SCHEMBL16783061 0.96 RAB9A (0.43) RAB9ANPC1SMN1; SMN2KDM4ESTIM1
SCHEMBL16783036 0.88 NPC1 (0.48) RAB9ANPC1SMN1; SMN2KDM4ESTIM1
SCHEMBL16783019 0.87 NPC1 (0.40) RAB9ANPC1SMN1; SMN2KDM4ESTIM1
SCHEMBL16804963 0.86 ORAI1 (0.39) RAB9ANPC1SMN1; SMN2KDM4ESTIM1
SCHEMBL16783002 0.85 NPC1 (0.48) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL16783092 0.85 NPC1 (0.39) RAB9ANPC1SMN1; SMN2KDM4ESTIM1
SCHEMBL16782983 0.84 STIM1 (0.39) RAB9ANPC1SMN1; SMN2KDM4ESTIM1
SCHEMBL16783027 0.84 NPC1 (0.38) RAB9ANPC1SMN1; SMN2KDM4ESTIM1
SCHEMBL16783010 0.84 STIM1 (0.38) RAB9ANPC1SMN1; SMN2KDM4ESTIM1
SCHEMBL16783093 0.84 NPC1 (0.39) RAB9ANPC1SMN1; SMN2KDM4ESTIM1

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
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 RAB9A 3615/4885NPC1 599/4885SMN1; 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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