Sugi Predict

Sugi Predict / Compounds / SCHEMBL1064351

SCHEMBL1064351

SCHEMBL1064351

CC[C@@H]1c2nncn2-c2cnc(Nc3ccc(C(=O)NC4CC4)cc3OC)nc2N1C1CCCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 18/20 0.74
▸ BRD4 O60885 10/20 0.74
▸ PLK3 Q9H4B4 4/20 0.73
▸ PLK2 Q9NYY3 3/20 0.73
▸ PRKD3 O94806 3/20 0.72
▸ CLK2 P49760 3/20 0.72
▸ PTK2 Q05397 3/20 0.72
▸ CAMK2G Q13555 3/20 0.72
▸ CAMK2D Q13557 3/20 0.72
▸ PRKD2 Q9BZL6 3/20 0.72
▸ CSNK1G1 Q9HCP0 3/20 0.72
▸ CSNK1G3 Q9Y6M4 3/20 0.72
▸ MAP4K4 O95819 2/20 0.72
▸ PRKCG P05129 2/20 0.72
▸ RPS6KA3 P51812 2/20 0.72
▸ NEK4 P51957 2/20 0.72
▸ SRPK1 Q96SB4 1/20 0.72
▸ BRDT Q58F21 2/20 0.69
▸ DAPK3 O43293 2/20 0.69
▸ CHEK2 O96017 2/20 0.69

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
SCHEMBL1064354 1.00 PLK1 (0.74) PLK1BRD4PLK3PLK2PRKD3
SCHEMBL1066172 0.99 PLK1 (0.75) PLK1BRD4PLK3PLK2PRKD3
SCHEMBL1066176 0.99 PLK1 (0.75) PLK1BRD4PLK3PLK2PRKD3
SCHEMBL383985 0.95 PLK1 (0.82) PLK1BRD4PLK3PLK2PRKD3
SCHEMBL383986 0.95 PLK1 (0.82) PLK1BRD4PLK3PLK2PRKD3
SCHEMBL1064778 0.93 PLK1 (0.67) PLK1BRD4PLK3PLK2PRKD3
SCHEMBL384074 0.93 PLK1 (0.67) PLK1BRD4PLK3PLK2PRKD3
SCHEMBL383777 0.93 BRD4 (0.74) PLK1BRD4PLK3PLK2PRKD3
SCHEMBL384190 0.93 BRD4 (0.74) PLK1BRD4PLK3PLK2PRKD3
SCHEMBL383778 0.93 BRD4 (0.74) PLK1BRD4PLK3PLK2PRKD3

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187774-A1 METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-07-03 — — US disclosed
US-20140187774-A1 METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-07-03 — — US disclosed
US-8637666-B2 Methods for preparing pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 — — US disclosed
US-8637666-B2 Methods for preparing pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 — — US disclosed
US-8524902-B2 [1,2,4]triazolo[4,3-f]pteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
US-8524902-B2 [1,2,4]triazolo[4,3-f]pteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
US-8524902-B2 [1,2,4]triazolo[4,3-f]pteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
US-20120277425-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-01 — — US disclosed
US-20120277425-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-01 — — US disclosed
US-20120277425-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-01 — — US disclosed
US-8067417-B2 Imidazo[1,2-F]pteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-29 — — US disclosed
US-20110021519-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-27 — — US disclosed
US-20110021519-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-27 — — US disclosed
US-20110021519-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-27 — — US disclosed
US-7763629-B2 Tetrahydropteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-27 — — US disclosed
US-7763629-B2 Tetrahydropteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-27 — — US disclosed
US-7763629-B2 Tetrahydropteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-27 — — US disclosed
US-20090062292-A1 Tetrahydropteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-03-05 — — US disclosed
US-20090062292-A1 Tetrahydropteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-03-05 — — US disclosed
US-20090062292-A1 Tetrahydropteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-03-05 — — 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 (4 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-20120277425-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES PRKCH, DMPK, MAP3K20 PLK1 159/4885BRD4 1254/4885PLK3 760/4885
US-20090062292-A1 Tetrahydropteridines useful as inhibitors of protein kinases PRKCH, DMPK, MAP3K20 PLK1 159/4885BRD4 1254/4885PLK3 760/4885
US-20140187774-A1 METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS CDK20, CDK10, MAPK1 PLK1 92/4885BRD4 2844/4885PLK3 327/4885
US-20110021519-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES PRKCH, DMPK, MAP3K20 PLK1 159/4885BRD4 1254/4885PLK3 760/4885

“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.