SCHEMBL6323276

SCHEMBL6323276

S=Cc1ccc(-c2ncncc2-c2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
CNR1 P21554 4/20 0.37
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
CNR2 P34972 1/20 0.36
KCNH2 Q12809 1/20 0.34

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
SCHEMBL4814511 0.84 NPSR1 (0.59) NPSR1KMT2ALMNAHTTCNR1
SCHEMBL6323283 0.76 NPSR1 (0.51) NPSR1KMT2ALMNAHTTCNR1
SCHEMBL28280894 0.75 NPSR1 (0.56) NPSR1KMT2AMAPK9MAPK10KCNH2
SCHEMBL4811912 0.74 CNR1 (0.44) KMT2ACNR1CNR2
SCHEMBL4802735 0.71 CNR1 (0.41) KMT2ACNR1CNR2
SCHEMBL4806722 0.70 CNR1 (0.52) CNR1CNR2
SCHEMBL22672408 0.68 NPSR1 (1.00) NPSR1KMT2ALMNAHTTCNR1
SCHEMBL4811618 0.67 ALDH1A1 (0.39) LMNACNR1CNR2
SCHEMBL30722321 0.64 FGFR4 (0.43) NPSR1CNR1CNR2
SCHEMBL10012834 0.64 NPSR1 (0.44) NPSR1KMT2AHTTMAPK10KCNH2

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-20050245554-A1 Substituted pyrimidines MERCK SHARP & DOHME CORP. 2005-11-03 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-20050245554-A1 Substituted pyrimidines CNR1, CNR2, GPR119 NPSR1 21/4885KMT2A 3592/4885LMNA 2198/4885

“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.