SCHEMBL16633313

SCHEMBL16633313

O=C1CN(C(=O)c2cc(-c3cc(F)cc(Cl)c3)n(-c3cncc(Cl)c3)n2)CN1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 6/20 0.42
MALT1 Q9UDY8 2/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
MGLL Q99685 3/20 0.37
ATM Q13315 1/20 0.36
KDM1A O60341 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHRNA7 P36544 2/20 0.35
GRM5 P41594 1/20 0.35
PTGS2 P35354 1/20 0.34

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
SCHEMBL15004327 0.91 NTRK1 (0.42) SLC5A1MALT1MEN1KMT2AMAPT
SCHEMBL14995519 0.90 MARS1 (0.45) MALT1MEN1KMT2AMAPTMGLL
SCHEMBL14995482 0.90 MALT1 (0.45) MALT1MEN1KMT2AMAPTMGLL
SCHEMBL1765351 0.87 PPP1CA (0.46) SLC5A1MALT1MEN1KMT2AMAPT
SCHEMBL15004290 0.86 MALT1 (0.42) MALT1MEN1KMT2AMAPTMGLL
SCHEMBL1526038 0.86 MEN1 (0.45) MALT1MEN1KMT2AMAPTATM
SCHEMBL29397883 0.86 MEN1 (0.45) MALT1MEN1KMT2AMAPTATM
SCHEMBL15004329 0.85 MALT1 (0.41) SLC5A1MALT1MEN1KMT2AMAPT
SCHEMBL15004330 0.85 MALT1 (0.41) MALT1MEN1KMT2AMAPTMGLL
SCHEMBL15004266 0.85 MALT1 (0.41) SLC5A1MALT1MEN1KMT2AMAPT

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 6 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

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 SLC5A1 3070/4885MALT1 28/4885MEN1 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.