SCHEMBL1775752

SCHEMBL1775752

c1ccc2c(c1)CCN(c1cc(N[C@@H]3CCNC3)ncn1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.50
SCN9A Q15858 1/20 0.48
PRMT5 O14744 4/20 0.46
WDR77 Q9BQA1 4/20 0.46
HRH3 Q9Y5N1 2/20 0.44
HRH2 P25021 1/20 0.44
GRIN2D O15399 8/20 0.44
GRIN3B O60391 8/20 0.44
GRIN1 Q05586 8/20 0.44
GRIN2A Q12879 8/20 0.44
GRIN2B Q13224 8/20 0.44
GRIN2C Q14957 8/20 0.44
GRIN3A Q8TCU5 8/20 0.44
CHRM1 P11229 5/20 0.44
ADRA1D P25100 5/20 0.44
ADRA1A P35348 5/20 0.44
ADRA1B P35368 5/20 0.44
NUDT1 P36639 1/20 0.42
DPP4 P27487 1/20 0.42
USP30 Q70CQ3 2/20 0.41

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
SCHEMBL30818752 0.77 HRH4 (0.49) HRH4HRH3HRH2
SCHEMBL1774244 0.76 HRH4 (0.56) HRH4PRMT5WDR77HRH3HRH2
SCHEMBL29501475 0.73 HRH4 (0.52) HRH4SCN9APRMT5WDR77ADRA1A
SCHEMBL26248522 0.72 HRH4 (0.51) HRH4SCN9APRMT5WDR77ADRA1A
SCHEMBL25120330 0.72 PRMT5 (0.64) PRMT5WDR77
SCHEMBL29501464 0.72 PRMT5 (0.50) PRMT5WDR77
SCHEMBL26254803 0.72 HRH4 (0.50) HRH4SCN9APRMT5WDR77ADRA1A
SCHEMBL29501378 0.72 HRH4 (0.50) HRH4SCN9APRMT5WDR77ADRA1A
SCHEMBL20576716 0.71 HRH3 (0.66) HRH4HRH3HRH2
SCHEMBL20576715 0.71 HRH3 (0.66) 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 6 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
CN-101341134-B Pyrimidine derivatives PFIZER LTD 2013-05-01 CN 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 184/4885SCN9A 4011/4885PRMT5 474/4885

“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.