SCHEMBL4492083

SCHEMBL4492083

COc1cc2c(Cl)c(C#N)cnc2cc1OCCCN1CCS(=O)(=O)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 19/20 0.61
ABL1 P00519 3/20 0.61
BCR P11274 3/20 0.61
FYN P06241 3/20 0.61
WEE2 P0C1S8 2/20 0.61
WEE1 P30291 2/20 0.61
PKMYT1 Q99640 2/20 0.61
STK25 O00506 1/20 0.61
CIT O14578 1/20 0.61
RIOK3 O14730 1/20 0.61
MAP2K7 O14733 1/20 0.61
CHEK1 O14757 1/20 0.61
CASK O14936 1/20 0.61
GAK O14976 1/20 0.61
EPHB6 O15197 1/20 0.61
MAP3K13 O43283 1/20 0.61
MAP3K7 O43318 1/20 0.61
RIPK2 O43353 1/20 0.61
NUAK1 O60285 1/20 0.61
JAK2 O60674 1/20 0.61

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
SCHEMBL4489514 0.90 WEE2 (0.71) SRCABL1BCRFYNWEE2
SCHEMBL6338535 0.88 SRC (0.70) SRCABL1BCRFYNWEE2
SCHEMBL5956094 0.87 SRC (0.71) SRCABL1BCRFYNWEE2
SCHEMBL4485027 0.87 SRC (0.71) SRCABL1BCRFYNEGFR
SCHEMBL6184101 0.85 SRC (0.86) SRCABL1BCRFYNWEE2
SCHEMBL5464411 0.82 SRC (0.59) SRCABL1BCRFYNWEE2
SCHEMBL4296487 0.80 SRC (0.54) SRCABL1BCRFYNWEE2
SCHEMBL4024046 0.80 ENPP1 (0.59) SRCEGFRRETPDGFRB
SCHEMBL31167355 0.80 SRC (0.71) SRCABL1BCRFYNWEE2
SCHEMBL22589482 0.79 SRC (0.59) SRCABL1BCRWEE2WEE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20060089382-A1 7-[3-(4-acetylpiperazin-1-yl)propoxy]-3-cyano-6-methoxy-4-[4-(3-methoxyprop-1-ynyl)-2,3-methylenedioxyanilino]quinoline; potent anti-tumour activity; inhibition of MEK enzymes involved in the MAPK kinase pathway, inhibiting the non-receptor tyrosine-specific protein kinases ASTRAZENECA AB (SE) 2006-04-27 US disclosed
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2005-01-13 US disclosed
EP-1409481-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2004-04-21 EP 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 (3 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 SRC 147/4885ABL1 63/4885BCR 1196/4885
US-20050009867-A1 Quinoline derivatives and their use as tyrosine kinase inhibitors ABL1, FLT3, JAK2 SRC 9/4885ABL1 1/4885BCR 293/4885
US-20060089382-A1 7-[3-(4-acetylpiperazin-1-yl)propoxy]-3-cyano-6-methoxy-4-[4-(3-methoxyprop-1-ynyl)-2,3-methylenedioxyanilino]quinoline; potent anti-tumour activity; inhibition of MEK enzymes involved in the MAPK kinase pathway, inhibiting the non-receptor tyrosine-specific protein kinases MAPK1, MAPK3, MAPK4 SRC 49/4885ABL1 68/4885BCR 675/4885

“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.