SCHEMBL33143

SCHEMBL33143

O=C(/C=C/CN1CCCCC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 1.00
ERBB4 Q15303 9/20 1.00
ERBB2 P04626 9/20 1.00
SRC P12931 3/20 0.79
KIT P10721 2/20 0.79
ERBB3 P21860 2/20 0.79
GAK O14976 2/20 0.79
RIPK2 O43353 2/20 0.79
LCK P06239 2/20 0.79
JAK3 P52333 2/20 0.79
RIPK3 Q9Y572 2/20 0.79
BMPR1B O00238 1/20 0.79
CIT O14578 1/20 0.79
MAP2K7 O14733 1/20 0.79
EPHB6 O15197 1/20 0.79
MAP3K7 O43318 1/20 0.79
STK17B O94768 1/20 0.79
STK10 O94804 1/20 0.79
ABL1 P00519 1/20 0.79
FYN P06241 1/20 0.79

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
SCHEMBL30115330 1.00 EGFR (1.00) EGFRERBB4ERBB2SRCKIT
SCHEMBL14427862 0.97 EGFR (0.95) EGFRERBB4ERBB2SRCKIT
SCHEMBL30115367 0.95 EGFR (0.90) EGFRERBB4ERBB2SRCKIT
SCHEMBL30115347 0.93 EGFR (0.89) EGFRERBB4ERBB2SRCGAK
SCHEMBL15781145 0.92 EGFR (0.85) EGFRERBB4ERBB2SRCKIT
SCHEMBL15772982 0.92 EGFR (0.85) EGFRERBB4ERBB2SRCKIT
SCHEMBL15772984 0.92 EGFR (0.85) EGFRERBB4ERBB2SRCKIT
SCHEMBL14149040 0.92 EGFR (0.84) EGFRERBB4ERBB2SRCKIT
SCHEMBL15772811 0.92 EGFR (0.84) EGFRERBB4ERBB2SRCKIT
SCHEMBL18595916 0.90 EGFR (0.82) EGFRERBB4ERBB2SRCKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9956222-B2 Quinazoline derivative as tyrosine-kinase inhibitor, preparation method therefor and application thereof Xuanzhu Pharma Co., Ltd. (CN) 2018-05-01 US disclosed
US-20170136023-A1 QUINAZOLINE DERIVATIVE AS TYROSINE-KINASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2017-05-18 US disclosed
EP-2716633-B1 QUINAZOLINE DERIVATIVE AS TYROSINE-KINASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF XUANZHU PHARMA CO LTD (CN) 2017-05-17 EP disclosed
US-9586939-B2 Quinazoline derivative as tyrosine-kinase inhibitor, preparation method therefor and application thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-03-07 US disclosed
US-8623883-B2 4-phenylamino-quinazolin-6-yl-amides WARNER-LAMBERT COMPANY LLC (US) 2014-01-07 US disclosed
US-8623883-B2 4-phenylamino-quinazolin-6-yl-amides WARNER-LAMBERT COMPANY LLC (US) 2014-01-07 US disclosed
US-20130274275-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES WARNER-LAMBERT COMPANY LLC 2013-10-17 US disclosed
US-20130274275-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES WARNER-LAMBERT COMPANY LLC 2013-10-17 US disclosed
US-8466165-B2 4-phenylamino-quinazolin-6-yl-amides WARNER-LAMBERT COMPANY LLC (US) 2013-06-18 US disclosed
US-8466165-B2 4-phenylamino-quinazolin-6-yl-amides WARNER-LAMBERT COMPANY LLC (US) 2013-06-18 US disclosed
EP-1746999-B1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES WARNER LAMBERT CO (US) 2011-11-16 EP disclosed
US-7772243-B2 4-phenylamino-quinazolin-6-yl-amides WARNER-LAMBERT COMPANY LLC (US) 2010-08-10 US disclosed
US-7772243-B2 4-phenylamino-quinazolin-6-yl-amides WARNER-LAMBERT COMPANY LLC (US) 2010-08-10 US disclosed
US-20100190977-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES PFIZER INC. 2010-07-29 US disclosed
US-20100190977-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES PFIZER INC. 2010-07-29 US 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-20170136023-A1 QUINAZOLINE DERIVATIVE AS TYROSINE-KINASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF JAK1, JAK2, YES1 EGFR 194/4885ERBB4 109/4885ERBB2 53/4885
US-20100190977-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES HRH4, HRH3, HRH2 EGFR 1504/4885ERBB4 1648/4885ERBB2 1415/4885
US-20130274275-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES HRH4, HRH3, HRH2 EGFR 1504/4885ERBB4 1648/4885ERBB2 1415/4885

“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.