SCHEMBL594142

SCHEMBL594142

Cc1cnc(F)cc1-c1cccc2cc(-c3nc(Cl)ncc3F)sc12

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
PDK1 Q15118 1/20 0.30

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
SCHEMBL2927723 0.94 CA12 (0.30) CA12CA1CA2CA9PDK1
SCHEMBL2919757 0.92 BTK (0.32)
SCHEMBL2870902 0.83 MAPK14 (0.34)
SCHEMBL1339135 0.83 HTR2C (0.31)
SCHEMBL27795774 0.83 FGFR1 (0.35)
SCHEMBL2923179 0.78 TDO2 (0.39)
SCHEMBL27795770 0.78
SCHEMBL394127 0.77 LIMK1 (0.31)
SCHEMBL391723 0.77 ALDH1A1 (0.37)
SCHEMBL394534 0.76 ABL1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101563342-B Imidazolidinonyl aminopyrimidine compounds for the treatment' of cancer LILLY CO ELI 2012-09-05 CN disclosed
CN-101679396-B Triazolylaminopyrimidine compounds LILLY CO ELI 2012-06-06 CN disclosed
US-8114872-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-14 US disclosed
EP-2125793-B1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2010-09-01 EP disclosed
US-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-05-27 US disclosed
CN-101679396-A Triazolylaminopyrimidine compounds LILLY CO ELI 2010-03-24 CN disclosed
EP-2155735-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
CN-101563342-A Imidazolidinonyl aminopyrimidine compounds for the treatment' of cancer LILLY CO ELI (US) 2009-10-21 CN disclosed
WO-2008144222-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 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-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP CA12 3115/4885CA1 4613/4885CA2 3627/4885

“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.