SCHEMBL16640303

SCHEMBL16640303

O=C(c1cc(-c2ccncc2)n(-c2ccc(F)cc2)n1)N1CCCCCC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.65
PTGS2 P35354 6/20 0.58
CHRNA7 P36544 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.53
KDM1A O60341 2/20 0.52
ATM Q13315 1/20 0.51
MGLL Q99685 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
PTGS1 P23219 1/20 0.48
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL16640301 0.99 MALT1 (0.67) MALT1PTGS2CHRNA7MEN1KMT2A
SCHEMBL16640298 0.87 MALT1 (0.57) MALT1PTGS2CHRNA7MEN1KMT2A
SCHEMBL15004248 0.87 MALT1 (0.57) MALT1PTGS2CHRNA7MEN1KMT2A
SCHEMBL16640299 0.85 MALT1 (0.58) MALT1PTGS2CHRNA7MEN1KMT2A
SCHEMBL9201596 0.83 MALT1 (0.65) MALT1PTGS2CHRNA7MEN1KMT2A
SCHEMBL9201626 0.82 PTGS2 (0.67) MALT1PTGS2CHRNA7PTGS1
SCHEMBL18353048 0.81 PTGS2 (0.51) MALT1PTGS2CHRNA7MEN1KMT2A
SCHEMBL18358765 0.80 PTGS2 (0.50) MALT1PTGS2MEN1KMT2AMAPT
SCHEMBL15004253 0.80 PTGS2 (0.66) MALT1PTGS2CHRNA7KDM1AATM
SCHEMBL18353060 0.77 KDM1A (0.49) MALT1PTGS2MEN1KMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MALT1 28/4885PTGS2 3350/4885CHRNA7 2272/4885

“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.