SCHEMBL1774199

SCHEMBL1774199

CNC1CN(c2cc(NCc3ccccc3)ncn2)C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.66
PIK3CB P42338 1/20 0.62
PRCP P42785 1/20 0.47
CYP1A2 P05177 5/20 0.47
MAPK1 P28482 5/20 0.47
TP53 P04637 4/20 0.47
CYP2D6 P10635 4/20 0.47
TSHR P16473 4/20 0.47
CYP2C19 P33261 4/20 0.47
CLK4 Q9HAZ1 4/20 0.47
HIF1A Q16665 3/20 0.47
METTL3 Q86U44 2/20 0.45
HSD17B10 Q99714 3/20 0.44
CYP3A4 P08684 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL1774066 0.88 HRH4 (0.53) HRH4PIK3CBPRCPALDH1A1KDM4E
SCHEMBL1774353 0.87 HRH4 (0.70) HRH4PIK3CBPRCPCLK4
SCHEMBL1774263 0.83 HRH4 (0.47) HRH4PIK3CBPRCPCYP1A2MAPK1
SCHEMBL1774241 0.81 HRH4 (0.52) HRH4
SCHEMBL5029686 0.81 PIK3CB (0.80) HRH4PIK3CBPRCPCYP1A2MAPK1
SCHEMBL1589666 0.80 HRH4 (0.57) HRH4NOS2
SCHEMBL1774043 0.79 HRH4 (0.50) HRH4
SCHEMBL1774192 0.78 HRH4 (0.54) HRH4PRCP
SCHEMBL1775582 0.78 HRH4 (0.55) HRH4PRCP
SCHEMBL1774181 0.78 HRH4 (0.55) HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966162-B1 PYRIMIDINE DERIVATIVES ZIARCO PHARMA LTD (GB) 2017-03-15 EP disclosed
CN-101341134-B Pyrimidine derivatives PFIZER LTD 2013-05-01 CN disclosed
US-7943628-B2 Pyrimidine derivatives PFIZER LIMITED (GB) 2011-05-17 US disclosed
CN-101341134-A Pyrimidine derivatives PFIZER LTD (GB) 2009-01-07 CN disclosed
US-20070185075-A1 Pyrimidine derivatives PFIZER LIMITED 2007-08-09 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-20070185075-A1 Pyrimidine derivatives TYMS, DPYD, TYMP HRH4 184/4885PIK3CB 1970/4885PRCP 2742/4885

“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.