SCHEMBL16640305

SCHEMBL16640305

Cc1ccc(-n2nc(C(=O)N3CCC(C)CC3)cc2-c2cccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.55
KDM1A O60341 5/20 0.52
PTGS2 P35354 3/20 0.49
BRD4 O60885 1/20 0.49
CCKAR P32238 1/20 0.49
PTGS1 P23219 1/20 0.48
EPHX2 P34913 1/20 0.48
MALT1 Q9UDY8 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL16640308 0.91 KDM1A (0.51) MGLLKDM1APTGS2PTGS1EPHX2
SCHEMBL16640297 0.89 MGLL (0.57) MGLLPTGS2CCKARPTGS1EPHX2
SCHEMBL16640299 0.79 MALT1 (0.58) MGLLKDM1APTGS2MALT1
SCHEMBL16640306 0.79 PTGS2 (0.65) MGLLKDM1APTGS2PTGS1EPHX2
SCHEMBL16640307 0.79 RPA1 (0.56) MGLLPTGS2CCKARMALT1ALDH1A1
SCHEMBL15004250 0.79 MGLL (0.59) MGLLKDM1APTGS2BRD4MALT1
SCHEMBL16640302 0.79 PTGS2 (0.64) MGLLPTGS2CCKARPTGS1EPHX2
SCHEMBL15004248 0.78 MALT1 (0.57) MGLLKDM1APTGS2MALT1
SCHEMBL16640298 0.78 MALT1 (0.57) MGLLKDM1APTGS2MALT1
SCHEMBL16640300 0.78 RPA1 (0.55) MGLLPTGS2CCKARMALT1ALDH1A1

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 MGLL 4358/4885KDM1A 1200/4885PTGS2 3350/4885

“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.