SCHEMBL4489514

SCHEMBL4489514

COc1cc2c(Cl)c(C#N)cnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE2 P0C1S8 2/20 0.71
WEE1 P30291 2/20 0.71
PKMYT1 Q99640 2/20 0.71
SRC P12931 19/20 0.70
ABL1 P00519 4/20 0.70
BCR P11274 3/20 0.70
FYN P06241 2/20 0.70
EGFR P00533 2/20 0.70
SYK P43405 2/20 0.70
STK25 O00506 1/20 0.70
CIT O14578 1/20 0.70
RIOK3 O14730 1/20 0.70
MAP2K7 O14733 1/20 0.70
CHEK1 O14757 1/20 0.70
CASK O14936 1/20 0.70
GAK O14976 1/20 0.70
EPHB6 O15197 1/20 0.70
MAP3K13 O43283 1/20 0.70
MAP3K7 O43318 1/20 0.70
RIPK2 O43353 1/20 0.70

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
SCHEMBL5956094 0.93 SRC (0.71) WEE2WEE1PKMYT1SRCABL1
SCHEMBL6338535 0.92 SRC (0.70) WEE2WEE1PKMYT1SRCABL1
SCHEMBL4492083 0.90 SRC (0.61) WEE2WEE1PKMYT1SRCABL1
SCHEMBL4485027 0.90 SRC (0.71) SRCABL1BCRFYNEGFR
SCHEMBL17375496 0.88 SRC (0.69) WEE2WEE1PKMYT1SRCABL1
SCHEMBL28416197 0.88 SRC (0.69) WEE2WEE1PKMYT1SRCABL1
SCHEMBL31167355 0.87 SRC (0.71) WEE2WEE1PKMYT1SRCABL1
SCHEMBL28457618 0.85 SRC (0.66) WEE2WEE1PKMYT1SRCABL1
SCHEMBL16706287 0.84 WEE2 (1.00) WEE2WEE1PKMYT1SRCABL1
SCHEMBL8213113 0.84 SRC (0.70) WEE2WEE1PKMYT1SRCABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110204490-B Preparation method of disubstituted 4-chloroquinoline-3-carbonitrile derivative and bosutinib 新发药业有限公司 2021-01-01 CN disclosed
CN-110204490-B Preparation method of disubstituted 4-chloroquinoline-3-carbonitrile derivative and bosutinib 新发药业有限公司 2021-01-01 CN disclosed
WO-2015198249-A1 PROCESS FOR PREPARATION OF BOSUTINIB SHILPA MEDICARE LIMITED (IN) 2015-12-30 WO disclosed
WO-2015198249-A1 PROCESS FOR PREPARATION OF BOSUTINIB SHILPA MEDICARE LIMITED (IN) 2015-12-30 WO disclosed
US-7501516-B2 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-03-10 US disclosed
US-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors ASTRAZENECA AB 2007-09-13 US disclosed
US-20070191346-A1 3-Cyano-quinoline derivatives ASTRAZENECA AB 2007-08-16 US disclosed
US-7173136-B2 3-Cyano-quinoline derivatives ASTRAZENECA AB (SE) 2007-02-06 US disclosed
US-7173135-B2 Substituted 3-cyanoquinolines as MEK inhibitors ASTRAZENECA AB (SE) 2007-02-06 US disclosed
EP-1409481-B1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-04 EP disclosed
WO-2004041811-A1 3-CYANO-QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2004-05-21 WO disclosed
EP-1409481-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2004-04-21 EP disclosed
WO-2004005284-A1 SUBSTITUTED 3-CYANOQUINOLINES AS MEK INHIBITORS ASTRAZENECA AB (SE) 2004-01-15 WO disclosed
WO-2003053960-A2 QUINLINE DERIVATES AND THEIR USE AS MEK INHIBITORS ASTRAZENECA AB (SE) 2003-07-03 WO disclosed
WO-2003047585-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BENZOFURANYL SUBSTITUTED 3-CYANOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SOLID TUMOURS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003047584-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003047583-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BENZOFURANYL SUBSTITUTED 3-CYANOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SOLID TUMOURS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003047582-A1 QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003048159-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 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-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors NRAS, BRAF, MAPK1 WEE2 167/4885WEE1 142/4885PKMYT1 612/4885
US-20070191346-A1 3-Cyano-quinoline derivatives MKI67, CCNA1, CCNT1 WEE2 1872/4885WEE1 1241/4885PKMYT1 2871/4885

“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.