SCHEMBL20150735

SCHEMBL20150735

Cc1ccc(NC(=O)C(C)n2nc(C)c(C(N)=O)c2N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43
PDGFRB P09619 1/20 0.42
KDR P35968 1/20 0.42
RET P07949 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KIF11 P52732 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL18281353 0.87 KIF11 (0.41) ALDH1A1HTTMAPTKMT2AMEN1
SCHEMBL20202574 0.78 RET (0.45) LMNAALDH1A1MAPTRETHPGD
SCHEMBL18283324 0.75 KDM4E (0.44) ALDH1A1HTTMAPTKMT2ARET
SCHEMBL31194537 0.73 RET (0.50) RET
SCHEMBL12798987 0.71 TP53 (0.54) LMNAALDH1A1HTTMAPTKMT2A
SCHEMBL18282702 0.69 RET (0.37) LMNAALDH1A1KMT2AMEN1RET
SCHEMBL20150739 0.68 LMNA (0.44) LMNAALDH1A1HTTMAPTKMT2A
SCHEMBL18281326 0.68 PTGDR2 (0.38) KMT2AMEN1KDRRETKIF11
SCHEMBL10975281 0.66 MAPT (0.67) LMNAALDH1A1HTTMAPTNPC1
SCHEMBL12997450 0.66 MAPT (0.67) LMNAALDH1A1HTTMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-17 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-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D LMNA 4663/4885ALDH1A1 705/4885HTT 98/4885

“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.