SCHEMBL1164572

SCHEMBL1164572

CC(=O)NCCNC(=O)c1ccc(-c2ncc(Br)c(Nc3cc(C4CC4)n(C(C)=O)n3)n2)s1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 11/20 0.36
▸ IKBKB O14920 1/20 0.35
▸ AKT3 Q9Y243 4/20 0.33
▸ CCNA2 P20248 2/20 0.33
▸ CDK2 P24941 2/20 0.33

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
SCHEMBL1164455 0.87 CCNA2 (0.34) IKBKBAKT3CCNA2CDK2
SCHEMBL12785107 0.86 CCNA2 (0.39) IGF1RCCNA2CDK2
SCHEMBL1164895 0.84 CCNA2 (0.38) IGF1RCCNA2CDK2
SCHEMBL1164942 0.83 IGF1R (0.54) IGF1RCCNA2CDK2
SCHEMBL1164686 0.79 CCNA2 (0.39) IGF1RCCNA2CDK2
SCHEMBL2071643 0.78 CDK2 (0.41) IGF1RCCNA2CDK2
SCHEMBL1164710 0.77 IGF1R (0.40) IGF1R
SCHEMBL12785109 0.74 CCNA2 (0.39) CCNA2CDK2
SCHEMBL1164010 0.72 CCNA2 (0.39) CCNA2CDK2
SCHEMBL1164190 0.71 CCNA2 (0.53) IGF1RCCNA2CDK2

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 4443/4885IKBKB 584/4885AKT3 3111/4885
US-20110053916-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS TYMS, TYMP, DPYD IGF1R 4443/4885IKBKB 584/4885AKT3 3111/4885

“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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