SCHEMBL14995482

SCHEMBL14995482

O=C1CN(C(=O)c2cc(-c3cc(F)cc(Cl)c3)n(-c3ccncc3)n2)CN1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
ATM Q13315 1/20 0.41
CHRNA7 P36544 2/20 0.40
MGLL Q99685 1/20 0.40
PTGS2 P35354 8/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
KDM1A O60341 1/20 0.38
PTGS1 P23219 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PPP1CA P62136 1/20 0.38

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
SCHEMBL15004329 0.90 MALT1 (0.41) MALT1MEN1KMT2AMAPTATM
SCHEMBL16633313 0.90 SLC5A1 (0.42) MALT1MEN1KMT2AMAPTATM
SCHEMBL1765351 0.90 PPP1CA (0.46) MALT1MEN1KMT2AMAPTATM
SCHEMBL14995519 0.89 MARS1 (0.45) MALT1MEN1KMT2AMAPTATM
SCHEMBL1526038 0.89 MEN1 (0.45) MALT1MEN1KMT2AMAPTATM
SCHEMBL29397883 0.89 MEN1 (0.45) MALT1MEN1KMT2AMAPTATM
SCHEMBL15004273 0.88 MALT1 (0.40) MALT1MEN1KMT2AMAPTATM
SCHEMBL15004290 0.87 MALT1 (0.42) MALT1MEN1KMT2AMAPTATM
SCHEMBL15004272 0.87 MALT1 (0.39) MALT1MEN1KMT2AMAPTATM
SCHEMBL15004341 0.86 CCKAR (0.38) MALT1MEN1KMT2AMAPTATM

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 9 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
EP-2785705-A1 CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF AiCuris GmbH & Co. KG (DE) 2014-10-08 EP disclosed
WO-2013079586-A1 CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF AICURIS GMBH & CO. KG (DE) 2013-06-06 WO 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 28/4885MEN1 2710/4885KMT2A 621/4885

“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.