SCHEMBL3673891

SCHEMBL3673891

COc1cc(OC2CCN(C)CC2)c2c(Nc3c(Cl)ccc4c3OOC4)c(C#N)cnc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 15/20 0.54
KDR P35968 5/20 0.54
ABL1 P00519 5/20 0.49
ABL2 P42684 5/20 0.49
EGFR P00533 3/20 0.46
FLT1 P17948 1/20 0.42
MAP2K1 Q02750 2/20 0.42
RAF1 P04049 1/20 0.42
ERBB2 P04626 2/20 0.41
BMPR1B O00238 1/20 0.39
GAK O14976 1/20 0.39
EPHB6 O15197 1/20 0.39
RIPK2 O43353 1/20 0.39
STK10 O94804 1/20 0.39
MAP4K4 O95819 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
YES1 P07947 1/20 0.39
LYN P07948 1/20 0.39
RET P07949 1/20 0.39

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
SCHEMBL3673893 0.87 SRC (0.72) SRCKDRABL1ABL2EGFR
Hydrochloric Acid SCHEMBL7134322 0.86 SRC (0.71) SRCKDRABL1ABL2EGFR
SCHEMBL3203369 0.84 SRC (0.75) SRCKDRABL1ABL2EGFR
SCHEMBL7068505 0.84 SRC (0.50) SRCKDRABL1ABL2EGFR
SCHEMBL5457265 0.79 SRC (0.52) SRCKDRABL1ABL2EGFR
Hydrochloric Acid SCHEMBL5456749 0.79 SRC (0.52) SRCKDRABL1ABL2EGFR
SCHEMBL7068176 0.78 SRC (0.52) SRCKDRABL1ABL2EGFR
SCHEMBL5461516 0.78 SRC (0.52) SRCKDRABL1ABL2EGFR
SCHEMBL3279448 0.76 SRC (0.64) SRCKDRABL1ABL2EGFR
Hydrochloric Acid SCHEMBL7066964 0.76 SRC (0.70) SRCKDRABL1ABL2EGFR

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
EP-1562612-B1 COMBINATION PRODUCT OF INHIBITOR OF THE SRC FAMILY OF NON-RECEPTOR TYROSINE KINASES AND GEMCITABINE FOR USE IN THE TREATMENT OR PROPHLAXIX OF PANCREATIC CANCER ASTRAZENECA AB (SE) 2010-01-27 EP disclosed
EP-1409481-B1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-04 EP disclosed
US-20060142297-A1 Combination product of inhibitor of the src family of non-recetpor tyrosine kinases and gemcitabine ASTRAZENECA AB (SE) 2006-06-29 US disclosed
EP-1562612-A1 COMBINATION PRODUCT OF INHIBITOR OF THE SRC FAMILY OF NON-RECEPTOR TYROSINE KINASES AND GEMCITABINE Astrazeneca AB (SE) 2005-08-17 EP disclosed
WO-2004087120-A2 USE OF QUINAZOLINE DERIVATIVES WITH SRC KINASE INHIBITORY ACTIVITY FOR THE TREATMENT OF HYPERTENSION ASTRAZENECA AB (SE) 2004-10-14 WO disclosed
WO-2004043472-A1 COMBINATION PRODUCT OF INHIBITOR OF THE SRC FAMILY OF NON-RECEPTOR TYROSINE KINASES AND GEMCITABINE ASTRAZENECA AB (SE) 2004-05-27 WO 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 (1 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-20060142297-A1 Combination product of inhibitor of the src family of non-recetpor tyrosine kinases and gemcitabine SRC, PTPN4, PTPN1 SRC 1/4885KDR 825/4885ABL1 26/4885

“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.