SCHEMBL4082376

SCHEMBL4082376

O=Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)s1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.79
ERBB2 P04626 16/20 0.79
ABL1 P00519 7/20 0.79
INSR P06213 7/20 0.79
PDGFRB P09619 7/20 0.79
CDK2 P24941 7/20 0.79
PLK1 P53350 7/20 0.79
HDAC1 Q13547 6/20 0.79
HDAC8 Q9BY41 6/20 0.79
HDAC6 Q9UBN7 6/20 0.79
HDAC3 O15379 5/20 0.79
HDAC4 P56524 5/20 0.79
HDAC7 Q8WUI4 5/20 0.79
HDAC2 Q92769 5/20 0.79
HDAC10 Q969S8 5/20 0.79
HDAC11 Q96DB2 5/20 0.79
HDAC9 Q9UKV0 5/20 0.79
HDAC5 Q9UQL6 5/20 0.79
ERBB4 Q15303 1/20 0.63
GAK O14976 1/20 0.61

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
SCHEMBL4077796 0.90 ERBB2 (0.87) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL4077788 0.90 ERBB2 (0.87) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL12795269 0.88 ERBB2 (1.00) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL1353339 0.88 EGFR (0.67) EGFRERBB2ABL1INSRPDGFRB
Hydrochloric Acid SCHEMBL4077522 0.87 ERBB2 (0.97) EGFRERBB2ABL1INSRPDGFRB
Hydrochloric Acid SCHEMBL4077525 0.87 ERBB2 (0.97) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL3664763 0.87 EGFR (0.87) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL4082540 0.87 ERBB2 (0.81) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL6520644 0.87 ERBB2 (0.81) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL4090004 0.86 EGFR (0.79) EGFRERBB2ABL1INSRPDGFRB

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
EP-2740729-B1 QUINAZOLINE DERIVATIVE, COMPOSITION HAVING THE DERIVATIVE, AND USE OF THE DERIVATIVE IN PREPARING MEDICAMENT HANGZHOU MINSHENG INSTITUTES FOR PHARMA RES (CN) 2020-11-25 EP disclosed
US-9499530-B2 Quinazoline derivative, composition having the derivative, and use of the derivative in preparing medicament HANGZHOU MINSHENG INSTITUTES FOR PHARMA RESEARCH (CN) 2016-11-22 US disclosed
US-20150080392-A1 QUINAZOLINE DERIVATIVE, COMPOSITION HAVING THE DERIVATIVE, AND USE OF THE DERIVATIVE IN PREPARING MEDICAMENT HANGZHOU MINSHENG PHARMACEUTICAL CO. LTD (CN) 2015-03-19 US disclosed
EP-2740729-A1 QUINAZOLINE DERIVATIVE, COMPOSITION HAVING THE DERIVATIVE, AND USE OF THE DERIVATIVE IN PREPARING MEDICAMENT Hangzhou Minsheng Institutes for Pharma Research (CN) 2014-06-11 EP disclosed
US-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2011-03-17 US disclosed
EP-2060565-A1 Novel bifunctional compounds which inhibit protein kinases and histone deacetylases 4SC AG (DE) 2009-05-20 EP 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-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES HDAC1, HDAC11, MAP2K2 EGFR 1304/4885ERBB2 499/4885ABL1 783/4885
US-20150080392-A1 QUINAZOLINE DERIVATIVE, COMPOSITION HAVING THE DERIVATIVE, AND USE OF THE DERIVATIVE IN PREPARING MEDICAMENT LCK, ZAP70, FYN EGFR 24/4885ERBB2 6/4885ABL1 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.