SCHEMBL1164370

SCHEMBL1164370

OCc1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)s1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 1/20 0.66
▸ CDK2 P24941 1/20 0.66
▸ NEK1 Q96PY6 1/20 0.51
▸ PAK4 O96013 4/20 0.49
▸ PAK1 Q13153 4/20 0.49
▸ CCNK O75909 1/20 0.48
▸ CDK13 Q14004 1/20 0.48
▸ CDK12 Q9NYV4 1/20 0.48
▸ IGF1R P08069 1/20 0.48

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
SCHEMBL1164457 0.82 CCNA2 (0.54) CCNA2CDK2IGF1R
SCHEMBL12783910 0.82 CCNA2 (0.54) CCNA2CDK2IGF1R
SCHEMBL12783887 0.82 CCNA2 (0.68) CCNA2CDK2IGF1R
SCHEMBL2069987 0.80 CCNA2 (0.58) CCNA2CDK2IGF1R
SCHEMBL1165115 0.80 CCNA2 (1.00) CCNA2CDK2NEK1PAK4PAK1
SCHEMBL1164130 0.78 CCNA2 (0.62) CCNA2CDK2NEK1PAK4PAK1
SCHEMBL12783921 0.78 CCNA2 (0.79) CCNA2CDK2NEK1IGF1R
SCHEMBL1164211 0.76 CCNA2 (0.75) CCNA2CDK2NEK1IGF1R
SCHEMBL27871394 0.75 NEK1 (0.69) CCNA2CDK2NEK1IGF1R
SCHEMBL15827593 0.73 CCNA2 (0.54) CCNA2CDK2IGF1R

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 13 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-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
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
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
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 CCNA2 1047/4885CDK2 122/4885NEK1 960/4885
US-20110053916-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS TYMS, TYMP, DPYD CCNA2 1047/4885CDK2 122/4885NEK1 960/4885

“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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