SCHEMBL8213640

SCHEMBL8213640

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1C

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.85
FBP1 P09467 2/20 0.85
KDR P35968 2/20 0.85
ERBB2 P04626 2/20 0.85
AURKA O14965 1/20 0.85
INSR P06213 1/20 0.85
PDGFRB P09619 1/20 0.85
FLT4 P35916 1/20 0.85
CLK1 P49759 1/20 0.85
EPHB4 P54760 1/20 0.85
TEK Q02763 1/20 0.85
AURKB Q96GD4 1/20 0.85
ERBB4 Q15303 1/20 0.66

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
SCHEMBL17520369 0.95 EGFR (0.85) EGFRFBP1KDRERBB2AURKA
SCHEMBL2099106 0.92 EGFR (1.00) EGFRFBP1KDRERBB2AURKA
SCHEMBL30505605 0.92 EGFR (1.00) EGFRFBP1KDRERBB2AURKA
Hydrochloric Acid SCHEMBL27887194 0.91 EGFR (0.98) EGFRFBP1KDRERBB2AURKA
SCHEMBL18655505 0.89 FBP1 (0.85) EGFRFBP1KDRERBB2AURKA
SCHEMBL7814811 0.88 EGFR (0.89) EGFRFBP1KDRERBB2AURKA
SCHEMBL7807648 0.88 EGFR (0.89) EGFRFBP1KDRERBB2AURKA
SCHEMBL12788058 0.88 EGFR (0.72) EGFRFBP1KDRERBB2AURKA
SCHEMBL8383 0.88 EGFR (0.83) EGFRFBP1KDRERBB2AURKA
SCHEMBL8208160 0.88 EGFR (0.83) EGFRFBP1KDRERBB2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 WO disclosed
WO-2023066350-A1 CRBN E3 LIGASE LIGAND COMPOUND, PROTEIN DEGRADING AGENT DEVELOPED ON THE BASIS OF LIGAND COMPOUND, AND THEIR APPLICATIONS 标新生物医药科技(上海)有限公司 2023-04-27 WO disclosed
US-9546179-B2 Heterocycle amido alkyloxy substituted quinazoline derivative and use thereof Qian, Wei (CN) 2017-01-17 US disclosed
US-9181277-B2 Aminoquinazoline derivatives and their salts and methods of use SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-11-10 US disclosed
US-20140228361-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-08-14 US disclosed
US-20140206664-A1 Heterocycle Amido Alkyloxy Substituted Quinazoline Derivative and Use Thereof QIAN WEI (CN) 2014-07-24 US disclosed
WO-2011098607-A1 SALTS AND HYDRATES OF 4-[(3-CHLOR-4-FLUORO-PHENYL)AMINO]-6-(CIS-4-{N-[(MORPH-1-OLINO-4-YL)CARBONYL]-N-METHYL-AMINO}-CYCLOHEXANE-1-YLOXY)-7-METHOXY-QUINAZOLINE, THEIR USE AS DRUGS AND THEIR PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-18 WO disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 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-20140228361-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE ABL1, PRKDC, JAK2 EGFR 460/4885FBP1 4095/4885KDR 949/4885
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 EGFR 2358/4885FBP1 1877/4885KDR 2667/4885
US-20140206664-A1 Heterocycle Amido Alkyloxy Substituted Quinazoline Derivative and Use Thereof EGFR, ERBB2, ERBB4 EGFR 1/4885FBP1 3894/4885KDR 96/4885

“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.