SCHEMBL1775602

SCHEMBL1775602

c1nc(NC2CC2)cc(N2CCCNCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.55
HRH4 Q9H3N8 4/20 0.54
PRKD1 Q15139 8/20 0.48
PRKD2 Q9BZL6 7/20 0.48
DPP4 P27487 3/20 0.48
CHRM3 P20309 2/20 0.46
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
NUDT1 P36639 1/20 0.46
ADRB1 P08588 1/20 0.43

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
SCHEMBL30818737 0.80 PIK3CB (0.49) HRH4PRKD1PRKD2DPP4
SCHEMBL1774962 0.78 HRH4 (0.67) KDRHRH4DPP4CHRM3PDE4A
SCHEMBL4789831 0.77 PRKD1 (0.48) HRH4PRKD1PRKD2DPP4CHRM3
SCHEMBL1775475 0.77 PRKD1 (0.48) HRH4PRKD1PRKD2DPP4CHRM3
SCHEMBL30818649 0.77 HRH4 (0.49) HRH4DPP4
SCHEMBL1775075 0.77 HRH4 (0.62) KDRHRH4
SCHEMBL30818620 0.76 IRAK4 (0.47) HRH4
SCHEMBL30819046 0.76 HRH4 (0.42) KDRHRH4PRKD1PRKD2DPP4
SCHEMBL1774625 0.75 HRH4 (0.93) KDRHRH4
SCHEMBL17623265 0.75 HRH4 (0.63) KDRHRH4ADRB1

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
US-7943628-B2 Pyrimidine derivatives PFIZER LIMITED (GB) 2011-05-17 US disclosed
EP-1966162-A2 PYRIMIDINE DERIVATIVES Pfizer Limited (GB) 2008-09-10 EP disclosed
US-20070185075-A1 Pyrimidine derivatives PFIZER LIMITED 2007-08-09 US disclosed
WO-2007072163-A2 PYRIMIDINE DERIVATIVES PFIZER LIMITED (GB) 2007-06-28 WO 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 KDR 585/4885HRH4 184/4885PRKD1 484/4885

“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.