SCHEMBL15004326

SCHEMBL15004326

O=C1CN(C(=O)c2cc(-c3cc(F)cc(Cl)c3)n(-c3ccccn3)n2)CN1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MARS1 P56192 2/20 0.44
▸ NTRK1 P04629 5/20 0.39
▸ MGLL Q99685 5/20 0.37
▸ MALT1 Q9UDY8 1/20 0.37
▸ P2RX7 Q99572 3/20 0.37
▸ CACNA1B Q00975 1/20 0.36
▸ SMPD1 P17405 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL15004262 0.88 MALT1 (0.36) MARS1NTRK1MGLLMALT1SMPD1
SCHEMBL1765351 0.85 PPP1CA (0.46) MGLLMALT1MEN1MAPTKMT2A
SCHEMBL14995482 0.84 MALT1 (0.45) MGLLMALT1MEN1MAPTKMT2A
SCHEMBL15004329 0.84 MALT1 (0.41) NTRK1MGLLMALT1MEN1MAPT
SCHEMBL15004290 0.83 MALT1 (0.42) MGLLMALT1MEN1MAPTKMT2A
SCHEMBL14995519 0.83 MARS1 (0.45) MARS1NTRK1MGLLMALT1MEN1
SCHEMBL1526038 0.83 MEN1 (0.45) MALT1MEN1MAPTKMT2A
SCHEMBL15004273 0.82 MALT1 (0.40) NTRK1MGLLMALT1MEN1MAPT
SCHEMBL16633313 0.81 SLC5A1 (0.42) MGLLMALT1MEN1MAPTKMT2A
SCHEMBL15004330 0.81 MALT1 (0.41) MGLLMALT1MEN1MAPTKMT2A

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
US-9296720-B2 Carboxamide-substituted heteroaryl-pyrazoles and the use thereof AICURIS GMBH & CO. KG (DE) 2016-03-29 — — US disclosed
US-9296720-B2 Carboxamide-substituted heteroaryl-pyrazoles and the use thereof AICURIS GMBH & CO. KG (DE) 2016-03-29 — — US disclosed
US-9296720-B2 Carboxamide-substituted heteroaryl-pyrazoles and the use thereof AICURIS GMBH & CO. KG (DE) 2016-03-29 — — US disclosed
US-20150105388-A1 CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF AICURIS GMBH & CO. KG (DE) 2015-04-16 — — US disclosed
US-20150105388-A1 CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF AICURIS GMBH & CO. KG (DE) 2015-04-16 — — US disclosed
US-20150105388-A1 CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF AICURIS GMBH & CO. KG (DE) 2015-04-16 — — US disclosed
WO-2013079586-A1 CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF AICURIS GMBH & CO. KG (DE) 2013-06-06 — — WO 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-20150105388-A1 CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF PAICS, AADAC, TPMT MARS1 752/4885NTRK1 2806/4885MGLL 4358/4885

“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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