SCHEMBL1172152

SCHEMBL1172152

NC1=NC(N)(c2ccccc2Cl)NC=C1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
TSHR P16473 1/20 0.32
HTR5A P47898 2/20 0.31

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
SCHEMBL4464373 0.87 TSHR (0.32) TAAR1TSHRHTR5A
SCHEMBL1171691 0.84 BACE1 (0.41) TAAR1
SCHEMBL1171876 0.81 HTR1A (0.34) TAAR1HTR5A
SCHEMBL15488573 0.80 TAAR1 (0.39) TAAR1TSHRHTR5A
SCHEMBL1172224 0.80 BACE1 (0.32) HTR5A
SCHEMBL4456989 0.78 ALDH1A1 (0.36) TSHR
SCHEMBL4462368 0.76 HTR5A (0.32) HTR5A
SCHEMBL4468713 0.76 HTT (0.39) HTR5A
SCHEMBL1172351 0.75 BACE1 (0.38)
SCHEMBL1171710 0.75 HSP90AA1 (0.37) HTR5A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 US disclosed
EP-1981856-A2 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2008-10-22 EP disclosed
WO-2007085833-A2 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-08-02 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-20110046108-A1 PYRIMIDINE DERIVATIVES EPHB4, EPHB1, EPHB3 TAAR1 2509/4885TSHR 2112/4885HTR5A 1725/4885

“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.