SCHEMBL1165110

SCHEMBL1165110

C[C@H](O)c1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)s1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 9/20 0.57
▸ JAK2 O60674 2/20 0.53
▸ CCNA2 P20248 3/20 0.52
▸ CDK2 P24941 3/20 0.52
▸ IGF1R P08069 2/20 0.49
▸ JAK3 P52333 1/20 0.47

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
SCHEMBL2068963 1.00 NTRK1 (0.57) NTRK1JAK2CCNA2CDK2IGF1R
SCHEMBL1163949 1.00 NTRK1 (0.57) NTRK1JAK2CCNA2CDK2IGF1R
SCHEMBL15809733 0.90 NTRK1 (0.54) NTRK1CCNA2CDK2IGF1R
SCHEMBL2069684 0.90 NTRK1 (0.54) NTRK1CCNA2CDK2IGF1R
SCHEMBL1164939 0.90 NTRK1 (0.54) NTRK1CCNA2CDK2IGF1R
SCHEMBL2069637 0.89 CCNA2 (0.66) NTRK1CCNA2CDK2IGF1R
SCHEMBL2069535 0.89 CCNA2 (0.66) NTRK1CCNA2CDK2IGF1R
SCHEMBL2068900 0.89 CCNA2 (0.66) NTRK1CCNA2CDK2IGF1R
SCHEMBL12785086 0.86 CCNA2 (0.56) NTRK1JAK2CCNA2CDK2IGF1R
SCHEMBL12785087 0.86 CCNA2 (0.56) NTRK1JAK2CCNA2CDK2IGF1R

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 NTRK1 4659/4885JAK2 2265/4885CCNA2 1047/4885
US-20110053916-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS TYMS, TYMP, DPYD NTRK1 4659/4885JAK2 2265/4885CCNA2 1047/4885

“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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