SCHEMBL16640297

SCHEMBL16640297

COc1ccc(-n2nc(C(=O)N3CCC(C)CC3)cc2-c2cccnc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.57
RPA1 P27694 1/20 0.53
PTGS2 P35354 5/20 0.51
CCKAR P32238 1/20 0.49
PTGS1 P23219 1/20 0.46
EPHX2 P34913 1/20 0.46
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
FAAH O00519 2/20 0.45
MALT1 Q9UDY8 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TRPC3 Q13507 1/20 0.43
TRPC6 Q9Y210 1/20 0.43

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
SCHEMBL16640307 0.90 RPA1 (0.56) MGLLRPA1PTGS2CCKARABL1
SCHEMBL16640305 0.89 MGLL (0.55) MGLLPTGS2CCKARPTGS1EPHX2
SCHEMBL16640300 0.89 RPA1 (0.55) MGLLRPA1PTGS2CCKARABL1
SCHEMBL16640308 0.89 KDM1A (0.51) MGLLPTGS2PTGS1EPHX2MALT1
SCHEMBL16640302 0.87 PTGS2 (0.64) MGLLRPA1PTGS2CCKARPTGS1
SCHEMBL16640299 0.77 MALT1 (0.58) MGLLPTGS2MALT1
SCHEMBL16640306 0.77 PTGS2 (0.65) MGLLPTGS2PTGS1EPHX2KDM4E
SCHEMBL15004250 0.77 MGLL (0.59) MGLLPTGS2ABL1BCRMALT1
SCHEMBL16640298 0.76 MALT1 (0.57) MGLLPTGS2MALT1
SCHEMBL15004248 0.76 MALT1 (0.57) MGLLPTGS2MALT1

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 4358/4885RPA1 3897/4885PTGS2 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.