SCHEMBL586573

SCHEMBL586573

O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2cn[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 12/20 1.00
▸ PLK4 O00444 11/20 1.00
▸ FLT3 P36888 3/20 1.00
▸ CYP2C19 P33261 2/20 1.00
▸ AURKA O14965 2/20 0.50
▸ GSK3B P49841 1/20 0.50
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49

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
SCHEMBL2576459 1.00 AURKB (1.00) AURKBPLK4FLT3CYP2C19AURKA
SCHEMBL2544452 1.00 AURKB (1.00) AURKBPLK4FLT3CYP2C19AURKA
SCHEMBL19216506 1.00 AURKB (1.00) AURKBPLK4FLT3CYP2C19AURKA
SCHEMBL18559103 1.00 AURKB (1.00) AURKBPLK4FLT3CYP2C19AURKA
SCHEMBL9946247 1.00 AURKB (1.00) AURKBPLK4FLT3CYP2C19AURKA
SCHEMBL15473365 1.00 AURKB (1.00) AURKBPLK4FLT3CYP2C19AURKA
SCHEMBL9947272 1.00 AURKB (1.00) AURKBPLK4FLT3CYP2C19AURKA
SCHEMBL21571819 0.91 PLK4 (1.00) AURKBPLK4FLT3CYP2C19AURKA
SCHEMBL9894728 0.91 PLK4 (1.00) AURKBPLK4FLT3CYP2C19AURKA
SCHEMBL3415209 0.91 PLK4 (1.00) AURKBPLK4FLT3CYP2C19AURKA

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 78 patents — showing the first 20. 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-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-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-10077255-B2 Synthesis of chiral 2-(1H-indazol-6-yl)-spiro[cyclopropane-1,3′-indolin]-2′-ones UNIVERSITY HEALTH NETWORK (CA) 2018-09-18 — — US disclosed
US-20180105511-A1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'-INDOLIN]-2'-ONES UNIVERSITY HEALTH NETWORK (CA) 2018-04-19 — — US disclosed
US-20180105511-A1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'-INDOLIN]-2'-ONES UNIVERSITY HEALTH NETWORK (CA) 2018-04-19 — — US disclosed
US-20180105511-A1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'-INDOLIN]-2'-ONES UNIVERSITY HEALTH NETWORK (CA) 2018-04-19 — — US disclosed
US-9907800-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2018-03-06 — — 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
WO-2012000103-A1 METHODS OF TARGETING PTEN MUTANT DISEASES AND COMPOSITIONS THEREFOR UNIVERSITY HEALTH NETWORK (CA) 2012-01-05 — — WO disclosed
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2011-10-27 — — US disclosed
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2011-10-27 — — US disclosed
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2011-10-27 — — US disclosed
WO-2011123947-A1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'- INDOLIN]-2'-ONES UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 — — WO disclosed
WO-2011123946-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 — — WO disclosed
WO-2010115279-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2010-10-14 — — WO 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 (6 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-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K5, MAP3K6, MAP3K1 AURKB 147/4885PLK4 281/4885FLT3 175/4885
US-20180105511-A1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'-INDOLIN]-2'-ONES IDO1, IDO2, IMPA1 AURKB 322/4885PLK4 599/4885FLT3 1806/4885
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 AURKB 180/4885PLK4 267/4885FLT3 163/4885
US-10358436-B2 Kinase inhibitors and method of treating cancer MAP3K6, MAP3K5, MAP3K19 AURKB 180/4885PLK4 267/4885FLT3 163/4885
US-10077255-B2 Synthesis of chiral 2-(1H-indazol-6-yl)-spiro[cyclopropane-1,3′-indolin]-2′-ones IDO1, IDO2, IMPA1 AURKB 324/4885PLK4 642/4885FLT3 1620/4885
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 AURKB 180/4885PLK4 267/4885FLT3 163/4885

“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.

Send feedback