SCHEMBL5218947

SCHEMBL5218947

COc1cc2c(Nc3c(Br)ccc4c3OCO4)ncnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.87

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 13/20 0.87
KDR P35968 12/20 0.87
CSK P41240 3/20 0.73
TEK Q02763 3/20 0.73
EPHB4 P54760 1/20 0.73
EGFR P00533 4/20 0.64
FGFR1 P11362 2/20 0.64
FLT1 P17948 2/20 0.64
FLT4 P35916 2/20 0.64
PKMYT1 Q99640 1/20 0.60
RET P07949 2/20 0.60
KIF5B P33176 1/20 0.60

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
SCHEMBL3198165 0.94 SRC (0.87) SRCKDRCSKTEKEPHB4
SCHEMBL3208481 0.86 SRC (0.86) SRCKDRCSKTEKEPHB4
SCHEMBL3196191 0.85 SRC (1.00) SRCKDRCSKTEKEPHB4
SCHEMBL3210014 0.84 SRC (1.00) SRCKDRCSKTEKEPHB4
SCHEMBL29432584 0.84 SRC (1.00) SRCKDRCSKTEKEPHB4
SCHEMBL3192178 0.83 KDR (0.72) SRCKDRTEKEGFRFGFR1
SCHEMBL3186185 0.83 KDR (0.61) SRCKDRCSKTEKEPHB4
SCHEMBL5216847 0.83 SRC (0.87) SRCKDRCSKTEKEPHB4
SCHEMBL3193407 0.82 SRC (0.83) SRCKDRCSKTEKEPHB4
Hydrochloric Acid SCHEMBL5216871 0.82 SRC (0.85) SRCKDRCSKTEKEPHB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453492-B1 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-01-24 EP disclosed
US-7115615-B2 Quinazoline derivatives ASTRAZENECA (SE) 2006-10-03 US disclosed
EP-1453492-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES Astrazeneca AB (SE) 2004-09-08 EP disclosed
US-20040034046-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-02-19 US disclosed
WO-2003045364-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 WO disclosed
EP-1313727-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-05-28 EP disclosed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 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-20040034046-A1 Quinazoline derivatives NQO2, NRAS, TOP1 SRC 2619/4885KDR 1995/4885CSK 1017/4885

“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.