SCHEMBL1774541

SCHEMBL1774541

CN1CC2CN(c3nc(N)nc(N)c3Cc3cccc(F)c3)CC2C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.49
HRH4 Q9H3N8 3/20 0.43
ADCY10 Q96PN6 2/20 0.43
SLC2A1 P11166 1/20 0.39
CCR2 P41597 1/20 0.38
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
MGMT P16455 1/20 0.35
DHFR P00374 1/20 0.35
ATM Q13315 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
SCHEMBL18601620 1.00 HTR6 (0.49) HTR6HRH4ADCY10SLC2A1CCR2
SCHEMBL607201 0.86 HRH4 (0.59) HTR6HRH4ADCY10
SCHEMBL1774656 0.85 HTR6 (0.64) HTR6HRH4ADCY10
SCHEMBL1774927 0.80 HTR6 (0.44) HTR6HRH4ADCY10SLC2A1CCR2
SCHEMBL1775372 0.80 HRH4 (0.52) HRH4
SCHEMBL1773989 0.80 HTR6 (0.44) HTR6HRH4ADCY10SLC2A1CCR2
SCHEMBL18601615 0.74 NUDT1 (0.41) HRH4DHFR
SCHEMBL1774078 0.74 NUDT1 (0.41) HRH4DHFR
SCHEMBL1774881 0.74 HRH4 (0.49) HRH4
SCHEMBL1775189 0.72 HTR6 (0.48) HTR6HRH4ADCY10

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 HTR6 2234/4885HRH4 184/4885ADCY10 2130/4885

“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.