SCHEMBL3226889

SCHEMBL3226889

N#Cc1ccc2c(ccn2N)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 7/20 0.50
ENPP3 O14638 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CDK2 P24941 3/20 0.41
MAP3K14 Q99558 1/20 0.40
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
CYP2A6 P11509 1/20 0.39
P2RX7 Q99572 1/20 0.38
PRMT5 O14744 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HTR6 P50406 2/20 0.35
CYP19A1 P11511 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
SCHEMBL3550220 0.87 CDC7 (0.51) CDC7ENPP3KDM4EALDH1A1GLA
SCHEMBL29499059 0.77 PRKCI (0.53) CDC7ENPP3KDM4EALDH1A1GLA
SCHEMBL27983398 0.77 CDC7 (0.47) CDC7ENPP3KDM4EALDH1A1GLA
SCHEMBL28871132 0.77 CDC7 (0.47) CDC7ENPP3KDM4EALDH1A1GLA
SCHEMBL1779268 0.77 PRKCI (0.53) CDC7ENPP3KDM4EALDH1A1GLA
SCHEMBL27968984 0.77 CDC7 (0.47) CDC7ENPP3KDM4EALDH1A1GLA
SCHEMBL28835066 0.77 CDC7 (0.47) CDC7ENPP3KDM4EALDH1A1GLA
SCHEMBL24826380 0.73 CDC7 (0.43) CDC7ENPP3KDM4EALDH1A1GLA
SCHEMBL12803570 0.73 CDC7 (0.43) CDC7ENPP3KDM4EALDH1A1GLA
SCHEMBL3709688 0.73 CDC7 (0.43) CDC7ENPP3KDM4EALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 EP claimed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US claimed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US claimed
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 EP disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 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-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 CDC7 3387/4885ENPP3 1109/4885KDM4E 2494/4885

“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.