SCHEMBL16640307

SCHEMBL16640307

COc1ccc(-n2nc(C(=O)N3CCCC3)cc2-c2cccnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.56
MALT1 Q9UDY8 2/20 0.55
PTGS2 P35354 4/20 0.55
MGLL Q99685 2/20 0.54
CCKAR P32238 1/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
CHRNA7 P36544 1/20 0.48
HTT P42858 1/20 0.48
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
FAAH O00519 1/20 0.45
MAPT P10636 1/20 0.45
CYP11B2 P19099 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
SCHEMBL16640300 0.99 RPA1 (0.55) RPA1MALT1PTGS2MGLLCCKAR
SCHEMBL16640297 0.90 MGLL (0.57) RPA1MALT1PTGS2MGLLCCKAR
SCHEMBL16640299 0.86 MALT1 (0.58) MALT1PTGS2MGLLMEN1KMT2A
SCHEMBL16640298 0.85 MALT1 (0.57) MALT1PTGS2MGLLMEN1KMT2A
SCHEMBL15004248 0.85 MALT1 (0.57) MALT1PTGS2MGLLMEN1KMT2A
SCHEMBL16640302 0.85 PTGS2 (0.64) RPA1PTGS2MGLLCCKARALDH1A1
SCHEMBL15004250 0.80 MGLL (0.59) MALT1PTGS2MGLLMEN1KMT2A
SCHEMBL20467445 0.79 ALDH1A1 (0.66) MEN1KMT2AALDH1A1HPGDHTT
SCHEMBL5149105 0.79 MALT1 (0.60) RPA1MALT1PTGS2MGLLMEN1
SCHEMBL16640305 0.79 MGLL (0.55) MALT1PTGS2MGLLCCKARALDH1A1

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 RPA1 3897/4885MALT1 28/4885PTGS2 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.