SCHEMBL3192178

SCHEMBL3192178

COc1ccc(Br)c(Nc2ncnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.72
EGFR P00533 8/20 0.72
FLT4 P35916 5/20 0.72
FGFR1 P11362 3/20 0.72
FLT1 P17948 3/20 0.72
SRC P12931 9/20 0.68
AURKA O14965 3/20 0.63
TEK Q02763 3/20 0.63
AURKB Q96GD4 3/20 0.63
ERBB2 P04626 1/20 0.63
RET P07949 1/20 0.60
KIF5B P33176 1/20 0.60
PDGFRB P09619 1/20 0.59

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
SCHEMBL3203336 0.90 KDR (0.84) KDREGFRFLT4FGFR1FLT1
Hydrochloric Acid SCHEMBL7573245 0.89 KDR (0.83) KDREGFRFLT4FGFR1FLT1
SCHEMBL3185479 0.87 EGFR (0.75) KDREGFRFLT4FGFR1FLT1
Hydrochloric Acid SCHEMBL27218174 0.83 EGFR (1.00) KDREGFRFLT4FGFR1FLT1
SCHEMBL5218947 0.83 SRC (0.87) KDREGFRFLT4FGFR1FLT1
Hydrochloric Acid SCHEMBL30891785 0.81 EGFR (0.84) KDREGFRFLT4FGFR1FLT1
SCHEMBL3208481 0.80 SRC (0.86) KDREGFRFLT4FGFR1FLT1
SCHEMBL7867152 0.80 KDR (0.98) KDREGFRFLT4FGFR1FLT1
SCHEMBL7864675 0.80 KDR (0.90) KDREGFRFLT4FGFR1FLT1
SCHEMBL3679436 0.79 KDR (0.88) KDREGFRFLT4FGFR1FLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002092579-A1 4-ANILINOQUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO claimed
US-20100029673-A1 THERAPEUTIC AGENTS COMPRISING AN ANTI-ANGIOGENIC AGENT IN COMBINATION WITH AN SRC-INHIBITOR AND THEIR THERAPEUTIC USE ASTRAZENECA AB (SE) 2010-02-04 US disclosed
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-20060223815-A1 Therapeutic agents comprising an anti-angiogenic agent in combination with an src-inhibitor and their therapeutic use ASTRAZENECA AB (SE) 2006-10-05 US 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-1620104-A1 THERAPEUTIC AGENTS COMPRISING AN ANTI-ANGIOGENIC AGENT IN COMBINATION WITH AN SRC-INHIBITOR AND THEIR THERAPEUTIC USE Astrazeneca AB (SE) 2006-02-01 EP disclosed
WO-2004098604-A1 THERAPEUTIC AGENTS COMPRISING AN ANTI-ANGIOGENIC AGENT IN COMBINATION WITH AN SRC-INHIBITOR AND THEIR THERAPEUTIC USE ASTRAZENECA AB (SE) 2004-11-18 WO 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-2002092579-A1 4-ANILINOQUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 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-20060223815-A1 Therapeutic agents comprising an anti-angiogenic agent in combination with an src-inhibitor and their therapeutic use SRC, TEK, FLT4 KDR 5/4885EGFR 124/4885FLT4 3/4885
US-20060142297-A1 Combination product of inhibitor of the src family of non-recetpor tyrosine kinases and gemcitabine SRC, PTPN4, PTPN1 KDR 825/4885EGFR 155/4885FLT4 568/4885
US-20100029673-A1 THERAPEUTIC AGENTS COMPRISING AN ANTI-ANGIOGENIC AGENT IN COMBINATION WITH AN SRC-INHIBITOR AND THEIR THERAPEUTIC USE SRC, CHUK, CTTN KDR 10/4885EGFR 233/4885FLT4 5/4885

“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.