SCHEMBL3669402

SCHEMBL3669402

COc1cc2c(Nc3cccc4occc34)ncnc2cc1OCC(O)CN1CCN(CC#N)CC1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRC P12931 9/20 0.60
KDR P35968 6/20 0.60
EGFR P00533 4/20 0.51
AURKA O14965 1/20 0.49
RET P07949 5/20 0.44
KIF5B P33176 2/20 0.43

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
SCHEMBL3680668 0.91 SRC (0.65) SRCKDREGFRAURKARET
SCHEMBL3679981 0.90 SRC (0.65) SRCKDREGFRAURKARET
SCHEMBL3679562 0.90 SRC (0.75) SRCKDREGFRAURKA
SCHEMBL3202365 0.85 SRC (0.60) SRCKDREGFRAURKARET
SCHEMBL3668458 0.85 KDR (0.62) SRCKDREGFRAURKARET
SCHEMBL3669406 0.85 EGFR (0.51) SRCKDREGFRAURKARET
SCHEMBL3673758 0.82 SRC (0.62) SRCKDREGFRAURKARET
SCHEMBL3669671 0.80 KDR (0.58) SRCKDREGFRRETKIF5B
SCHEMBL3679436 0.78 KDR (0.88) SRCKDREGFRAURKA
Hydrochloric Acid SCHEMBL6488286 0.78 SRC (0.68) SRCKDREGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939866-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2005-09-06 US claimed
US-20040044015-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-03-04 US claimed
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
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
US-6939866-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2005-09-06 US disclosed
US-20040044015-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-03-04 US 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-20040044015-A1 Quinazoline derivatives NQO2, NRAS, TOP1 SRC 2778/4885KDR 2216/4885EGFR 1832/4885
US-20060142297-A1 Combination product of inhibitor of the src family of non-recetpor tyrosine kinases and gemcitabine SRC, PTPN4, PTPN1 SRC 1/4885KDR 825/4885EGFR 155/4885

“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.