SCHEMBL16640299

SCHEMBL16640299

O=C(c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1)N1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.58
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
PTGS2 P35354 6/20 0.52
CHRNA7 P36544 1/20 0.50
KDM1A O60341 1/20 0.48
MAPT P10636 1/20 0.47
MGLL Q99685 6/20 0.47
ATM Q13315 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL15004248 0.99 MALT1 (0.57) MALT1MEN1KMT2APTGS2CHRNA7
SCHEMBL16640298 0.99 MALT1 (0.57) MALT1MEN1KMT2APTGS2CHRNA7
SCHEMBL15004250 0.91 MGLL (0.59) MALT1MEN1KMT2APTGS2KDM1A
SCHEMBL16640309 0.91 PTGS2 (0.65) MEN1KMT2APTGS2MAPTMGLL
SCHEMBL16640308 0.89 KDM1A (0.51) MALT1MEN1KMT2APTGS2KDM1A
SCHEMBL16640301 0.86 MALT1 (0.67) MALT1MEN1KMT2APTGS2CHRNA7
SCHEMBL16640307 0.86 RPA1 (0.56) MALT1MEN1KMT2APTGS2CHRNA7
SCHEMBL16640300 0.85 RPA1 (0.55) MALT1MEN1KMT2APTGS2CHRNA7
SCHEMBL16640303 0.85 MALT1 (0.65) MALT1MEN1KMT2APTGS2CHRNA7
SCHEMBL16640306 0.82 PTGS2 (0.65) PTGS2CHRNA7KDM1AMGLLATM

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 28/4885MEN1 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.