SCHEMBL12784388

SCHEMBL12784388

CC(C#N)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 4/20 0.63
▸ CDK2 P24941 4/20 0.63
▸ IGF1R P08069 4/20 0.53
▸ NTRK1 P04629 7/20 0.49
▸ SRC P12931 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ JAK3 P52333 1/20 0.43

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
SCHEMBL2068900 0.88 CCNA2 (0.66) CCNA2CDK2IGF1RNTRK1
SCHEMBL2069535 0.88 CCNA2 (0.66) CCNA2CDK2IGF1RNTRK1
SCHEMBL2069637 0.88 CCNA2 (0.66) CCNA2CDK2IGF1RNTRK1
SCHEMBL12784390 0.88 CCNA2 (0.59) CCNA2CDK2IGF1RNTRK1SRC
SCHEMBL12878463 0.85 CCNA2 (0.74) CCNA2CDK2IGF1RNTRK1
SCHEMBL2069614 0.84 CCNA2 (0.68) CCNA2CDK2IGF1RNTRK1SRC
SCHEMBL12784671 0.83 CCNA2 (0.64) CCNA2CDK2IGF1RNTRK1
SCHEMBL12784422 0.82 CCNA2 (0.63) CCNA2CDK2IGF1RNTRK1
SCHEMBL1163953 0.82 CCNA2 (0.66) CCNA2CDK2IGF1RNTRK1
SCHEMBL12784897 0.82 CCNA2 (0.65) CCNA2CDK2IGF1RNTRK1SRC

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 7 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
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

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 122/4885IGF1R 4443/4885
US-20110053916-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS TYMS, TYMP, DPYD CCNA2 1047/4885CDK2 122/4885IGF1R 4443/4885

“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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