Sugi Predict

Sugi Predict / Compounds / SCHEMBL648099

SCHEMBL648099

SCHEMBL648099

Cc1cc(Nc2cc(Cl)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 12/20 0.58
▸ AURKB Q96GD4 11/20 0.55
▸ SRC P12931 2/20 0.55
▸ GSK3B P49841 1/20 0.55
▸ AURKC Q9UQB9 3/20 0.55
▸ PLK4 O00444 3/20 0.55
▸ RIPK1 Q13546 2/20 0.55
▸ BMPR1B O00238 1/20 0.55
▸ STK25 O00506 1/20 0.55
▸ RIOK3 O14730 1/20 0.55
▸ CHEK1 O14757 1/20 0.55
▸ GAK O14976 1/20 0.55
▸ MUSK O15146 1/20 0.55
▸ EPHB6 O15197 1/20 0.55
▸ PDPK1 O15530 1/20 0.55
▸ MAP3K13 O43283 1/20 0.55
▸ DAPK3 O43293 1/20 0.55
▸ MAP3K7 O43318 1/20 0.55
▸ NUAK1 O60285 1/20 0.55
▸ JAK2 O60674 1/20 0.55

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
SCHEMBL62264 0.96 AURKA (0.55) AURKAAURKBSRCGSK3BAURKC
SCHEMBL13765973 0.90 AURKA (0.54) AURKAAURKBSRCGSK3BAURKC
SCHEMBL1532353 0.88 AURKB (0.53) AURKAAURKBSRCGSK3BAURKC
SCHEMBL60995 0.87 AURKA (0.47) AURKAAURKBSRCGSK3BAURKC
SCHEMBL2957416 0.87 AURKA (0.71) AURKAAURKBSRCGSK3BAURKC
SCHEMBL2203480 0.87 AURKB (0.59) AURKAAURKBSRCGSK3BAURKC
SCHEMBL1078617 0.87 AURKB (0.64) AURKAAURKBSRCGSK3BABL1
SCHEMBL13785830 0.85 AURKA (0.50) AURKAAURKBSRCGSK3BAURKC
SCHEMBL12338737 0.85 AURKA (0.67) AURKAAURKBSRCAURKCPLK4
Tozasertib SCHEMBL614528 0.84 AURKB (0.78) AURKAAURKBSRCAURKCPLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382229-B2 Compounds and methods of use thereof for treating neurodegenerative disorders THE JOHNS HOPKINS UNIVERSITY (US) 2016-07-05 — — US disclosed
US-8779127-B2 Processes for preparing substituted pyrimidines VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-15 — — US disclosed
US-20140187540-A1 COMPOUNDS AND METHODS OF USE THEREOF FOR TREATING NEURODEGENERATIVE DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2014-07-03 — — US disclosed
US-20130066069-A1 PROCESSES FOR PREPARING SUBSTITUTED PYRIMIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-14 — — US disclosed
US-8268829-B2 Substituted pyrimidines useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INC. (US) 2012-09-18 — — US disclosed
US-8268829-B2 Substituted pyrimidines useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INC. (US) 2012-09-18 — — US disclosed
EP-2441757-A1 Aurora kinase inhibitors from an encoded small molecule library Praecis Pharmaceuticals Incorporated (US) 2012-04-18 — — EP disclosed
US-8138338-B2 Aurora kinase inhibitors from an encoded small molecule library GLAXOSMITHKLINE LLC (US) 2012-03-20 — — US disclosed
US-8119798-B2 P38 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-02-21 — — US disclosed
US-20100324063-A1 JAK2 TYROSINE KINASE INHIBITION VERTEX PHARMACEUTICALS INCORPORATED 2010-12-23 — — US disclosed
US-20090227598-A1 Ret Tyrosine Kinase Inhibition MERCK SHARP & DOHME CORP. 2009-09-10 — — US disclosed
US-20090227598-A1 Ret Tyrosine Kinase Inhibition MERCK SHARP & DOHME CORP. 2009-09-10 — — US disclosed
US-20090221602-A1 PROCESSES FOR PREPARING SUBSTITUTED PYRIMIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-03 — — US disclosed
US-20090221602-A1 PROCESSES FOR PREPARING SUBSTITUTED PYRIMIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-03 — — US disclosed
US-7557106-B2 Substituted pyrimidines useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-07 — — US disclosed
US-20090105270-A1 Kinase inhibition and anticancer therapy BUSER-DOEPNER CAROLYN A 2009-04-23 — — US disclosed
US-20090062302-A1 Jak2 Tyrosine Kinase Inhibition VERTEX PHARMACEUTICALS INCORPORATED 2009-03-05 — — US disclosed
US-20090062302-A1 Jak2 Tyrosine Kinase Inhibition VERTEX PHARMACEUTICALS INCORPORATED 2009-03-05 — — US disclosed
WO-2007087245-A2 RET TYROSINE KINASE INHIBITION MERCK & CO., INC. (US) 2007-08-02 — — WO disclosed
WO-2007014250-A2 ABL KINASE INHIBITION VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-02-01 — — 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 (7 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-20090227598-A1 Ret Tyrosine Kinase Inhibition RET, FER, TYRO3 AURKA 443/4885AURKB 705/4885SRC 13/4885
US-20090105270-A1 Kinase inhibition and anticancer therapy MAP3K20, MAP3K10, MAP3K2 AURKA 168/4885AURKB 68/4885SRC 344/4885
US-20100324063-A1 JAK2 TYROSINE KINASE INHIBITION JAK2, ABL1, JAK1 AURKA 976/4885AURKB 578/4885SRC 21/4885
US-20140187540-A1 COMPOUNDS AND METHODS OF USE THEREOF FOR TREATING NEURODEGENERATIVE DISORDERS CLN6, NLN, HTT AURKA 4696/4885AURKB 4124/4885SRC 4212/4885
US-20090221602-A1 PROCESSES FOR PREPARING SUBSTITUTED PYRIMIDINES AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885SRC 755/4885
US-20130066069-A1 PROCESSES FOR PREPARING SUBSTITUTED PYRIMIDINES AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885SRC 755/4885
US-20090062302-A1 Jak2 Tyrosine Kinase Inhibition JAK2, ABL1, JAK1 AURKA 976/4885AURKB 578/4885SRC 21/4885

“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.