SCHEMBL586527

SCHEMBL586527

COc1ccc2c(c1)C(=Cc1ccc3c(C=Cc4ccc(N5CCN(C)CC5)nc4)n[nH]c3c1)C(=O)N2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 7/20 0.52
CYP3A4 P08684 4/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
AURKB Q96GD4 8/20 0.47
FLT3 P36888 6/20 0.47
KDR P35968 5/20 0.47
AURKA O14965 2/20 0.43
RET P07949 5/20 0.41
LCK P06239 2/20 0.41
LRRK2 Q5S007 2/20 0.41
PDGFRA P16234 1/20 0.41
ALK Q9UM73 1/20 0.41
TLK2 Q86UE8 3/20 0.41
CDK1 P06493 2/20 0.41
CDK2 P24941 2/20 0.41
MAPK1 P28482 2/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
CDK7 P50613 2/20 0.41

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
SCHEMBL2548124 1.00 PLK4 (0.52) PLK4CYP3A4CYP2C9CYP2C19AURKB
SCHEMBL2548126 1.00 PLK4 (0.52) PLK4CYP3A4CYP2C9CYP2C19AURKB
Hydrochloric Acid SCHEMBL2549115 0.99 PLK4 (0.51) PLK4CYP3A4CYP2C9CYP2C19AURKB
Hydrochloric Acid SCHEMBL587056 0.99 PLK4 (0.51) PLK4CYP3A4CYP2C9CYP2C19AURKB
Hydrochloric Acid SCHEMBL2549114 0.99 PLK4 (0.51) PLK4CYP3A4CYP2C9CYP2C19AURKB
Hydrochloric Acid SCHEMBL589914 0.99 PLK4 (0.51) PLK4CYP3A4CYP2C9CYP2C19AURKB
SCHEMBL6531516 0.89 PLK4 (0.58) PLK4CYP3A4CYP2C9CYP2C19AURKB
SCHEMBL3414788 0.89 PLK4 (0.58) PLK4CYP3A4CYP2C9CYP2C19AURKB
SCHEMBL6531520 0.89 PLK4 (0.58) PLK4CYP3A4CYP2C9CYP2C19AURKB
Hydrochloric Acid SCHEMBL6530399 0.88 PLK4 (0.57) PLK4CYP3A4CYP2C9CYP2C19AURKB

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47731-E1 Kinase inhibitors and method of treating cancer with same UNIV HEALTH NETWORK (CA) 2019-11-19 US disclosed
US-10358436-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2019-07-23 US disclosed
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2018-10-04 US disclosed
US-9907800-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2018-03-06 US disclosed
US-20160045511-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2016-02-18 US disclosed
US-9139563-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2015-09-22 US disclosed
US-8999968-B2 Kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2015-04-07 US disclosed
EP-2417127-B1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK (CA) 2014-02-26 EP disclosed
US-20140045822-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2014-02-13 US disclosed
US-20140045838-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIV HEALTH NETWORK (CA) 2014-02-13 US disclosed
US-8481533-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-07-09 US disclosed
US-8481525-B2 Kinase inhibitors and method of treating cancer with same UNIVERSITY OF HEALTH NETWORK (CA) 2013-07-09 US disclosed
US-20120264800-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2012-10-18 US disclosed
US-8263596-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2012-09-11 US disclosed
US-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORKS (CA) 2012-06-14 US disclosed
EP-2417127-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2012-02-15 EP disclosed
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2011-10-27 US disclosed
WO-2010115279-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2010-10-14 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 (8 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-20160045511-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 PLK4 267/4885CYP3A4 1451/4885CYP2C9 1920/4885
US-20120264800-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 PLK4 267/4885CYP3A4 1451/4885CYP2C9 1920/4885
US-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K5, MAP3K6, MAP3K1 PLK4 281/4885CYP3A4 1956/4885CYP2C9 2510/4885
US-20140045838-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 PLK4 267/4885CYP3A4 1451/4885CYP2C9 1920/4885
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 PLK4 267/4885CYP3A4 1451/4885CYP2C9 1920/4885
US-10358436-B2 Kinase inhibitors and method of treating cancer MAP3K6, MAP3K5, MAP3K19 PLK4 267/4885CYP3A4 1451/4885CYP2C9 1920/4885
US-20140045822-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K5, MAP3K6, MAP3K1 PLK4 281/4885CYP3A4 1956/4885CYP2C9 2510/4885
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 PLK4 267/4885CYP3A4 1451/4885CYP2C9 1920/4885

“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.