SCHEMBL265800

SCHEMBL265800

Nc1nc(Cl)ncc1Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
CYP19A1 P11511 2/20 0.46
DHFR P00374 2/20 0.46

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
SCHEMBL28876978 0.87 DHFR (0.61) DHFR
SCHEMBL28907303 0.76 TSHR (0.49) TSHRCYP19A1
SCHEMBL30041153 0.76 TSHR (0.49) TSHRCYP19A1
SCHEMBL31662914 0.76 DHFR (0.49) DHFR
SCHEMBL27697197 0.75 CYP19A1 (0.49) TSHRCYP19A1
SCHEMBL11801017 0.73 TSHR (0.54) TSHRCYP19A1
SCHEMBL10918542 0.72 TSHR (0.71) TSHRCYP19A1
SCHEMBL17201936 0.72 EGFR (0.53) TSHR
SCHEMBL19929612 0.71 KAT2B (0.48) TSHRDHFR
SCHEMBL21358341 0.70 TSHR (0.48) TSHRCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 US 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK TSHR 1587/4885CYP19A1 3877/4885DHFR 774/4885

“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.