SCHEMBL9909233

SCHEMBL9909233

COc1ccc(-c2ccnc3c(C)cc(C(=O)N=C(N)N)cc23)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.39
CCNT1 O60563 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CDK9 P50750 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
HTR5A P47898 7/20 0.39
PLAU P00749 3/20 0.38
SLC9A1 P19634 4/20 0.37
KDM4E B2RXH2 1/20 0.36
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35

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
SCHEMBL12874648 0.90 CDC7 (0.37) CDC7CCNT1CSNK2A2CCNE1CDK2
SCHEMBL9907852 0.88 HTR5A (0.41) CDC7CCNE1CDK2DBF4HTR5A
SCHEMBL9907827 0.88 SLC9A1 (0.42) HTR5ASLC9A1
SCHEMBL9907823 0.86 HTR5A (0.54) HTR5ASLC9A1
SCHEMBL9909228 0.85 KDM5A (0.43) CDC7CCNT1CSNK2A2CCNE1CDK2
SCHEMBL9909259 0.84 CDC7 (0.38) CDC7CCNT1CSNK2A2CCNE1CDK2
SCHEMBL9909301 0.84 SLC9A1 (0.46) CCNT1CDK9HTR5ASLC9A1
SCHEMBL15500536 0.82 CDC7 (0.39) CDC7CCNT1CSNK2A2CCNE1CDK2
SCHEMBL9907859 0.82 HTR2B (0.42) HTR5ASLC9A1KDM4CKDM5B
SCHEMBL9909219 0.81 HTR5A (0.45) HTR5ASLC9A1

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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E CDC7 4154/4885CCNT1 3359/4885CSNK2A2 4132/4885

“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.