SCHEMBL1171876

SCHEMBL1171876

COc1c(Cl)cccc1C1(N)N=C(N)C=CN1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
HTR5A P47898 1/20 0.34
TAAR1 Q96RJ0 1/20 0.31
BCHE P06276 2/20 0.31
ACHE P22303 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 0.81 TSHR (0.32) HTR1AHTR1DHTR2CHTR7HTR5A
SCHEMBL1172152 0.81 TAAR1 (0.39) HTR5ATAAR1
SCHEMBL1171691 0.79 BACE1 (0.41) TAAR1
SCHEMBL1171998 0.78 CYP19A1 (0.35)
SCHEMBL4468713 0.77 HTT (0.39) HTR1AHTR1DHTR2CHTR7HTR5A
SCHEMBL1171710 0.76 HSP90AA1 (0.37) HTR5A
SCHEMBL1171670 0.73 AGPAT2 (0.38)
SCHEMBL4458379 0.72 CYP3A4 (0.35) HTR5A
SCHEMBL1172013 0.69 BACE1 (0.42)
SCHEMBL1172224 0.69 BACE1 (0.32) 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 HTR1A 1758/4885HTR1D 2030/4885HTR2C 1866/4885

“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.