SCHEMBL15004262

SCHEMBL15004262

O=C1CN(C(=O)c2cc(-c3cc(F)cc(Cl)c3)n(-c3cccc(Cl)n3)n2)CN1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 2/20 0.36
▸ MGLL Q99685 4/20 0.35
▸ MEN1 O00255 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ MAPT P10636 3/20 0.35
▸ PTGS2 P35354 4/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ SMPD1 P17405 1/20 0.34
▸ NTRK1 P04629 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ MARS1 P56192 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL15004326 0.88 MARS1 (0.44) MALT1MGLLMEN1KMT2AMAPT
SCHEMBL1765351 0.86 PPP1CA (0.46) MALT1MGLLMEN1KMT2AMAPT
SCHEMBL14995482 0.83 MALT1 (0.45) MALT1MGLLMEN1KMT2AMAPT
SCHEMBL15004329 0.83 MALT1 (0.41) MALT1MGLLMEN1KMT2AMAPT
SCHEMBL1765529 0.82 PPP1CA (0.47) MALT1MGLLMEN1KMT2AMAPT
SCHEMBL14995519 0.82 MARS1 (0.45) MALT1MGLLMEN1KMT2AMAPT
SCHEMBL15004290 0.82 MALT1 (0.42) MALT1MGLLMEN1KMT2AMAPT
SCHEMBL29397883 0.82 MEN1 (0.45) MALT1MEN1KMT2AMAPTPTGS2
SCHEMBL1526038 0.82 MEN1 (0.45) MALT1MEN1KMT2AMAPTPTGS2
SCHEMBL12597373 0.81 KDM1A (0.43) MALT1MGLLMEN1KMT2AMAPT

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 MALT1 28/4885MGLL 4358/4885MEN1 2710/4885

“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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