SCHEMBL15765992

SCHEMBL15765992

CS(=O)(=O)O.CS(=O)(=O)O.OCCCCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1

nearest known ligand 0.84

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR known ✓ P00533 15/20 0.84
ABL1 known ✓ P00519 1/20 0.84
PDGFRB known ✓ P09619 1/20 0.84
ERBB2 P04626 10/20 0.84
ABCB11 O95342 2/20 0.84
MEN1 O00255 1/20 0.84
PIK3C2B O00750 1/20 0.84
MAP2K7 O14733 1/20 0.84
RIPK2 O43353 1/20 0.84
PIK3C2G O75747 1/20 0.84
STK10 O94804 1/20 0.84
INSR P06213 1/20 0.84
RET P07949 1/20 0.84
CYP3A4 P08684 1/20 0.84
SRC P12931 1/20 0.84
CYP3A5 P20815 1/20 0.84
ERBB3 P21860 1/20 0.84
CDK2 P24941 1/20 0.84
KMT2A Q03164 1/20 0.84
KCNH2 Q12809 1/20 0.84

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
SCHEMBL15766039 0.97 HDAC3 (0.82) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL15766109 0.96 EGFR (0.86) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL15766062 0.95 EGFR (0.81) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL15766012 0.94 EGFR (0.82) EGFRERBB2ABCB11MEN1PIK3C2B
Lapatinib SCHEMBL18691854 0.93 EGFR (0.97) EGFRERBB2ABCB11MEN1PIK3C2B
Lapatinib SCHEMBL2505835 0.93 EGFR (0.97) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL14982050 0.93 EGFR (0.92) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL15766037 0.93 ABCB11 (0.87) EGFRERBB2ABCB11MEN1PIK3C2B
Lapatinib SCHEMBL3233815 0.92 EGFR (0.96) EGFRERBB2ABCB11MEN1PIK3C2B
Lapatinib SCHEMBL2501563 0.92 EGFR (0.96) EGFRERBB2ABCB11MEN1PIK3C2B

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 8 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 claimed
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 claimed
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 claimed
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 claimed
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

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-20150080392-A1 QUINAZOLINE DERIVATIVE, COMPOSITION HAVING THE DERIVATIVE, AND USE OF THE DERIVATIVE IN PREPARING MEDICAMENT LCK, ZAP70, FYN EGFR 24/4885ABL1 5/4885PDGFRB 16/4885

“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.