SCHEMBL1773531

SCHEMBL1773531

CC(C)(C)CCNc1cc(N[C@@H]2CCN(Cc3ccccc3)C2)ncn1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.69
HRH3 Q9Y5N1 4/20 0.54
HRH2 P25021 2/20 0.54
CXCR4 P61073 1/20 0.46
BCHE P06276 3/20 0.46
ACHE P22303 2/20 0.46
BACE1 P56817 2/20 0.46
MALT1 Q9UDY8 1/20 0.44
OPRK1 P41145 1/20 0.44
ROCK2 O75116 1/20 0.44
CCR2 P41597 1/20 0.44
ROCK1 Q13464 1/20 0.44
SCN1A P35498 2/20 0.43
SCN8A Q9UQD0 2/20 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
SCHEMBL1775084 1.00 HRH4 (0.69) HRH4HRH3HRH2CXCR4BCHE
SCHEMBL1774777 0.82 HRH4 (1.00) HRH4HRH3HRH2
SCHEMBL1773432 0.82 HRH4 (1.00) HRH4HRH3HRH2
SCHEMBL1776541 0.81 ACHE (0.54) HRH3CXCR4BCHEACHEBACE1
SCHEMBL1774196 0.81 ACHE (0.54) HRH3CXCR4BCHEACHEBACE1
SCHEMBL1774588 0.80 HRH4 (1.00) HRH4HRH3HRH2
SCHEMBL1775760 0.80 HRH4 (1.00) HRH4HRH3HRH2
SCHEMBL1774473 0.80 HRH4 (1.00) HRH4HRH3HRH2
SCHEMBL1775451 0.78 HRH4 (0.86) HRH4HRH3HRH2
SCHEMBL1774378 0.76 HRH4 (0.87) HRH4HRH3HRH2

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 10 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
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
US-7943628-B2 Pyrimidine derivatives PFIZER LIMITED (GB) 2011-05-17 US 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
US-20070185075-A1 Pyrimidine derivatives PFIZER LIMITED 2007-08-09 US 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.