SCHEMBL1774244

SCHEMBL1774244

c1ccc2c(c1)CC(Nc1cc(N[C@@H]3CCNC3)ncn1)C2

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.56
HRH3 Q9Y5N1 2/20 0.56
HRH2 P25021 1/20 0.56
IRAK4 Q9NWZ3 1/20 0.42
ROCK1 Q13464 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RPS6KB1 P23443 1/20 0.40
MAPK1 P28482 1/20 0.40
MAP4K1 Q92918 1/20 0.40
PRKCI P41743 1/20 0.39
PFKFB3 Q16875 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38

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
SCHEMBL20576716 0.84 HRH3 (0.66) HRH4HRH3HRH2IRAK4ALDH1A1
SCHEMBL20576715 0.84 HRH3 (0.66) HRH4HRH3HRH2IRAK4ALDH1A1
SCHEMBL1774572 0.79 HRH4 (0.61) HRH4HRH3HRH2ALDH1A1CYP1A2
SCHEMBL1775098 0.79 HRH4 (0.61) HRH4HRH3HRH2ALDH1A1CYP1A2
SCHEMBL1775427 0.77 HRH4 (0.65) HRH4HRH3HRH2IRAK4MAPK1
SCHEMBL1774575 0.77 HRH4 (0.65) HRH4HRH3HRH2IRAK4MAPK1
SCHEMBL4789931 0.77 HRH4 (0.65) HRH4HRH3HRH2IRAK4MAPK1
SCHEMBL20577268 0.77 HRH4 (0.61) HRH4HRH3HRH2ALDH1A1CYP1A2
SCHEMBL15219279 0.77 HRH4 (0.61) HRH4HRH3HRH2ALDH1A1CYP1A2
SCHEMBL4751390 0.77 HRH3 (0.58) HRH4HRH3HRH2IRAK4ALDH1A1

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 HRH4 184/4885HRH3 187/4885HRH2 257/4885

“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.