SCHEMBL1163675

SCHEMBL1163675

N#CCc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 4/20 0.57
▸ GSK3B P49841 3/20 0.55
▸ AKT1 P31749 1/20 0.55
▸ TGFBR1 P36897 1/20 0.55
▸ GSK3A P49840 1/20 0.55
▸ STK4 Q13043 1/20 0.55
▸ STK3 Q13188 1/20 0.55
▸ BMPR2 Q13873 1/20 0.55
▸ STK26 Q9P289 1/20 0.55
▸ STK24 Q9Y6E0 1/20 0.55
▸ CCNA2 P20248 3/20 0.54
▸ CDK2 P24941 3/20 0.54
▸ SRC P12931 2/20 0.52
▸ NTRK1 P04629 3/20 0.51
▸ NUAK1 O60285 1/20 0.49

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
SCHEMBL1164247 0.89 IGF1R (0.57) IGF1RGSK3BAKT1TGFBR1GSK3A
SCHEMBL1164179 0.89 GSK3B (0.55) IGF1RGSK3BAKT1TGFBR1GSK3A
SCHEMBL1164519 0.89 GSK3B (0.55) IGF1RGSK3BAKT1TGFBR1GSK3A
SCHEMBL15827612 0.87 CCNA2 (0.56) IGF1RCCNA2CDK2NTRK1NUAK1
SCHEMBL1164676 0.87 GSK3B (0.54) IGF1RGSK3BAKT1TGFBR1GSK3A
SCHEMBL12783949 0.86 IGF1R (0.78) IGF1RGSK3BAKT1TGFBR1GSK3A
SCHEMBL1164240 0.84 IGF1R (0.54) IGF1RGSK3BAKT1TGFBR1GSK3A
SCHEMBL12878248 0.84 IGF1R (0.64) IGF1RGSK3BCCNA2CDK2SRC
SCHEMBL12784136 0.84 CCNA2 (0.59) IGF1RGSK3BCCNA2CDK2SRC
SCHEMBL12784897 0.82 CCNA2 (0.65) IGF1RGSK3BAKT1TGFBR1GSK3A

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 12 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

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 IGF1R 4443/4885GSK3B 1132/4885AKT1 3067/4885
US-20110053916-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS TYMS, TYMP, DPYD IGF1R 4443/4885GSK3B 1132/4885AKT1 3067/4885

“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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