SCHEMBL1775427

SCHEMBL1775427

c1ccc(CCNc2cc(N[C@@H]3CCNC3)ncn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.65
HRH3 Q9Y5N1 3/20 0.65
HRH2 P25021 1/20 0.65
HTR7 P34969 2/20 0.49
PRKCI P41743 1/20 0.43
CCNT1 O60563 2/20 0.41
CDK9 P50750 1/20 0.41
PRCP P42785 1/20 0.40
SLC29A1 Q99808 1/20 0.40
ACHE P22303 3/20 0.39
MAOB P27338 1/20 0.39
HTR6 P50406 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
APP P05067 2/20 0.38
BCHE P06276 1/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
EGFR P00533 1/20 0.38
LMNA P02545 1/20 0.38
TAAR1 Q96RJ0 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
SCHEMBL4789931 1.00 HRH4 (0.65) HRH4HRH3HRH2HTR7PRKCI
SCHEMBL1774575 1.00 HRH4 (0.65) HRH4HRH3HRH2HTR7PRKCI
SCHEMBL1774572 0.88 HRH4 (0.61) HRH4HRH3HRH2PRKCICCNT1
SCHEMBL1775098 0.88 HRH4 (0.61) HRH4HRH3HRH2PRKCICCNT1
SCHEMBL18636561 0.79 HRH4 (0.73) HRH4HRH3HRH2IRAK4
SCHEMBL1775849 0.79 HRH4 (0.73) HRH4HRH3HRH2PRKCICCNT1
SCHEMBL1774042 0.79 HRH4 (1.00) HRH4HRH3HRH2PRKCIMAPK1
SCHEMBL12605084 0.79 HRH4 (0.73) HRH4HRH3HRH2PRKCICCNT1
SCHEMBL1775292 0.79 HRH4 (1.00) HRH4HRH3HRH2PRKCIMAPK1
SCHEMBL1775487 0.79 HRH4 (1.00) HRH4HRH3HRH2PRKCIMAPK1

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.