SCHEMBL4031731

SCHEMBL4031731

COc1cc2c(Nc3c(Cl)cc(I)c4c3OCO4)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 16/20 0.78
KDR P35968 11/20 0.78
CSK P41240 2/20 0.78
TEK Q02763 2/20 0.78
EPHB4 P54760 2/20 0.67
EGFR P00533 5/20 0.66
FLT4 P35916 2/20 0.63
CIT O14578 1/20 0.63
GAK O14976 1/20 0.63
EPHB6 O15197 1/20 0.63
ABCC4 O15439 1/20 0.63
DAPK3 O43293 1/20 0.63
RIPK2 O43353 1/20 0.63
NR1I2 O75469 1/20 0.63
RPS6KA4 O75676 1/20 0.63
STK17B O94768 1/20 0.63
STK10 O94804 1/20 0.63
PRKD3 O94806 1/20 0.63
ABCB11 O95342 1/20 0.63
MAP4K4 O95819 1/20 0.63

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
SCHEMBL4022455 0.89 SRC (0.75) SRCKDRCSKTEKEPHB4
SCHEMBL4023498 0.88 SRC (0.62) SRCKDRCSKTEKEPHB4
SCHEMBL4023490 0.88 SRC (0.62) SRCKDRCSKTEKEPHB4
SCHEMBL4030965 0.88 SRC (0.60) SRCKDRCSKTEKEPHB4
SCHEMBL4026192 0.87 SRC (0.62) SRCKDRCSKTEKEPHB4
SCHEMBL4023995 0.87 SRC (0.72) SRCKDRCSKTEKEPHB4
SCHEMBL4030396 0.86 SRC (0.71) SRCKDRCSKTEKEPHB4
SCHEMBL4026324 0.86 SRC (0.78) SRCKDRCSKTEKEGFR
SCHEMBL4030223 0.86 SRC (0.56) SRCKDRCSKTEKEPHB4
SCHEMBL4024497 0.85 SRC (0.70) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681623-B1 PATTERN FORMING METHOD, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND RESIST FILM FUJIFILM CORP (JP) 2019-07-10 EP claimed
EP-1932844-B1 CROSS-LINKED CYCLIC AMINE COMPOUNDS AND AGENTS FOR PEST CONTROL NIPPON SODA CO (JP) 2015-09-02 EP claimed
EP-2076521-B1 SYNTHESIS OF SILYLSUBSTITUTED 1,2-ALKYNES UNIV ADAM MICKIEWICZ (PL) 2012-12-26 EP claimed
EP-1392674-B1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS SMITHKLINE BEECHAM CORP (US) 2005-08-10 EP claimed
EP-1349843-B1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS SMITHKLINE BEECHAM CORP (US) 2005-04-20 EP claimed
EP-0648735-B1 Preparation of an intermediate for vitamin A-acetate HOFFMANN LA ROCHE (CH) 1998-01-28 EP claimed
EP-0321871-B1 SUBSTRATES FOR ALPHA-AMYLASE DETERMINATION Roche Diagnostics GmbH (DE) 1993-07-07 EP claimed
EP-0285837-B1 IMIDAZODIAZEPIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1992-07-08 EP claimed
EP-0273270-B1 PROCESS FOR THE PREPARATION OF (+)-BIOTIN LONZA AG (CH) 1992-04-08 EP claimed
EP-0270076-B1 IMIDAZOLE DERIVATIVES AND A PROCESS FOR THEIR PREPARATION LONZA AG (CH) 1991-10-09 EP claimed
EP-1528925-B1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-04-22 EP disclosed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US disclosed
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2005-11-10 US disclosed
EP-1528925-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2005-05-11 EP disclosed
WO-2004004732-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-01-15 WO disclosed
WO-1991008187-A1 OPEN-CHAIN TERPENE COMPOUND MITSUBISHI KASEI CORPORATION (JP) 1991-06-13 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-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer TPD52L2, NQO2, CCNI SRC 1917/4885KDR 2563/4885CSK 1248/4885

“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.