SCHEMBL1165167

SCHEMBL1165167

CCOC(=O)C(O[Si](C)(C)C(C)(C)C)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 5/20 0.55
▸ CCNA2 P20248 3/20 0.55
▸ NTRK1 P04629 5/20 0.46
▸ IGF1R P08069 6/20 0.46
▸ CCNE1 P24864 2/20 0.40
▸ GSK3B P49841 1/20 0.38

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
SCHEMBL15809857 0.93 CDK2 (0.48) CDK2CCNA2NTRK1IGF1RCCNE1
SCHEMBL1164753 0.92 CCNA2 (0.57) CDK2CCNA2NTRK1IGF1R
SCHEMBL1165037 0.87 CCNA2 (0.60) CDK2CCNA2NTRK1IGF1R
SCHEMBL12845755 0.86 CDK2 (0.56) CDK2CCNA2NTRK1IGF1RCCNE1
SCHEMBL1163953 0.81 CCNA2 (0.66) CDK2CCNA2NTRK1IGF1R
SCHEMBL1164532 0.81 CCNA2 (0.61) CDK2CCNA2NTRK1IGF1R
SCHEMBL12845768 0.80 CCNA2 (0.59) CDK2CCNA2NTRK1IGF1R
SCHEMBL2068900 0.80 CCNA2 (0.66) CDK2CCNA2NTRK1IGF1R
SCHEMBL2069637 0.80 CCNA2 (0.66) CDK2CCNA2NTRK1IGF1R
SCHEMBL2069535 0.80 CCNA2 (0.66) CDK2CCNA2NTRK1IGF1R

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
US-9422271-B2 Pyrimidine compounds as tuberculosis inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-08-23 — — US disclosed
US-9422271-B2 Pyrimidine compounds as tuberculosis inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-08-23 — — US disclosed
US-20140249137-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-04 — — US disclosed
US-20140249137-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-04 — — US disclosed
EP-2464641-B1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMA (US) 2014-06-25 — — EP disclosed
EP-2464641-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2012-06-20 — — EP disclosed
US-20110053916-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-03 — — US disclosed
US-20110053916-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-03 — — US disclosed
WO-2011019405-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-17 — — 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 (2 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-20140249137-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS TYMS, TYMP, DPYD CDK2 122/4885CCNA2 1047/4885NTRK1 4659/4885
US-20110053916-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS TYMS, TYMP, DPYD CDK2 122/4885CCNA2 1047/4885NTRK1 4659/4885

“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.

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