SCHEMBL3229587

SCHEMBL3229587

NC(=O)C1=C[N]c2ccc(N)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
TDP1 Q9NUW8 4/20 0.33
POLB P06746 3/20 0.33
MEN1 O00255 4/20 0.33
MAPT P10636 4/20 0.33
KMT2A Q03164 4/20 0.33
THRB P10828 4/20 0.33
ALOX15 P16050 3/20 0.33
HSD17B10 Q99714 3/20 0.33
KDM4C Q9H3R0 2/20 0.33
GFER P55789 1/20 0.33
YWHAG P61981 1/20 0.33
ALDH1A1 P00352 5/20 0.32
CYP3A4 P08684 4/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL3219722 0.81 PARP1 (0.38) NPC1KDR
SCHEMBL3223527 0.76 MAP4K4 (0.39) KDRLMNAPTGDR2
SCHEMBL15170596 0.66 ALDH1A1 (0.48) KDM4ETDP1POLBMEN1MAPT
SCHEMBL14313208 0.63 PIM1 (0.38) PARP10
SCHEMBL29203839 0.62 BCAT2 (0.48) KDM4ETDP1POLBMEN1MAPT
SCHEMBL31506393 0.60 BCAT2 (0.47) KDM4ETDP1POLBMEN1MAPT
SCHEMBL3791222 0.60 BCAT2 (0.47) KDM4ETDP1POLBMEN1MAPT
SCHEMBL11794201 0.59 BCAT2 (0.55) KDM4ETDP1POLBMEN1MAPT
SCHEMBL29201948 0.59 CDK5 (0.43) KDM4ETDP1POLBMEN1MAPT
SCHEMBL1803658 0.59 MAPT (0.53) KDM4ETDP1POLBMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 KDM4E 2494/4885TDP1 1722/4885POLB 896/4885

“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.