SCHEMBL3222329

SCHEMBL3222329

NC(=O)C1=C[N]c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.38
HSD17B10 Q99714 3/20 0.37
MAPT P10636 3/20 0.37
TSHR P16473 2/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
PARP1 P09874 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
RAB9A P51151 2/20 0.34
CSNK1A1 P48729 1/20 0.34
TYRO3 Q06418 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
HTR2B P41595 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
SCHEMBL8078829 0.82 ALDH1A1 (0.36) MAPTTSHRTDP1L3MBTL1THRB
SCHEMBL3229587 0.76 KDM4E (0.33) HSD17B10MAPTTSHRPOLBCYP3A4
SCHEMBL8086896 0.76 TSHR (0.42) HSD17B10MAPTTSHRPOLBFGFR1
SCHEMBL3219722 0.74 PARP1 (0.38) PARP1KEAP1FGFR1FGFR3IKBKB
SCHEMBL3225838 0.72 KDM4E (0.35) PARP1RECQLMEN1KMT2ATRPA1
SCHEMBL3218786 0.71 CSNK1A1 (0.31) KEAP1NFE2L2CSNK1A1TYRO3DYRK1B
SCHEMBL3223527 0.70 MAP4K4 (0.39) FGFR3IKBKB
SCHEMBL3096746 0.67 APAF1 (0.33) HSD17B10MAPTTSHRPOLBCYP3A4
SCHEMBL8087155 0.65 AKR1B1 (0.42) TSHRTDP1KDM4EALDH1A1GAA
SCHEMBL20585044 0.65 MAPT (0.43) HSD17B10MAPTTSHRPOLBCYP3A4

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
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 EP 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 BCAT2 3776/4885HSD17B10 2957/4885MAPT 1931/4885

“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.