SCHEMBL1773333

SCHEMBL1773333

CCCNc1cc(N2CCN[C@@H](C)C2)ncn1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.54
HRH3 Q9Y5N1 3/20 0.45
HRH2 P25021 1/20 0.45
KIT P10721 1/20 0.40
ACVR1 Q04771 1/20 0.39
PRCP P42785 1/20 0.39
PIK3CB P42338 1/20 0.37
IGF1R P08069 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
NMT1 P30419 1/20 0.36

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
SCHEMBL1775168 1.00 HRH4 (0.54) HRH4HRH3HRH2KITACVR1
SCHEMBL1775475 0.80 PRKD1 (0.48) HRH4HRH3KITACVR1PRKCQ
SCHEMBL4789831 0.80 PRKD1 (0.48) HRH4HRH3KITACVR1PRKCQ
SCHEMBL1774038 0.78 HRH4 (0.65) HRH4HRH3
SCHEMBL12321044 0.77 FAAH (0.51) HRH4
SCHEMBL1774043 0.76 HRH4 (0.50) HRH4HRH3HRH2
SCHEMBL17623223 0.76 KIT (0.43) HRH4KITACVR1PRKCQPRKCD
SCHEMBL23523531 0.74 KIT (0.43) HRH4KITACVR1PRKCQPRKCD
SCHEMBL20905784 0.74 KIT (0.43) HRH4KITACVR1PRKCQPRKCD
SCHEMBL20898677 0.74 KIT (0.43) HRH4KITACVR1PRKCQPRKCD

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.