SCHEMBL2994889

SCHEMBL2994889

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/N1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.82
ERBB2 P04626 13/20 0.82
ERBB4 Q15303 7/20 0.82
JAK3 P52333 2/20 0.82
GAK O14976 1/20 0.82
RIPK2 O43353 1/20 0.82
NR1I2 O75469 1/20 0.82
LCK P06239 1/20 0.82
ADORA3 P0DMS8 1/20 0.82
CHRM1 P11229 1/20 0.82
SRC P12931 1/20 0.82
DRD2 P14416 1/20 0.82
ADRA2C P18825 1/20 0.82
SLC6A2 P23975 1/20 0.82
MC3R P41968 1/20 0.82
SLC6A3 Q01959 1/20 0.82
PDE4D Q08499 1/20 0.82
KCNH2 Q12809 1/20 0.82
RIPK3 Q9Y572 1/20 0.82
ERBB3 P21860 1/20 0.75

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
SCHEMBL2994892 1.00 EGFR (0.82) EGFRERBB2ERBB4JAK3GAK
Dacomitinib Anhydrous SCHEMBL29396914 0.90 EGFR (1.00) EGFRERBB2ERBB4JAK3GAK
SCHEMBL30115337 0.90 EGFR (1.00) EGFRERBB2ERBB4JAK3GAK
Dacomitinib Anhydrous SCHEMBL25637 0.90 EGFR (1.00) EGFRERBB2ERBB4JAK3GAK
SCHEMBL25098 0.90 EGFR (1.00) EGFRERBB2ERBB4JAK3GAK
Dacomitinib Anhydrous SCHEMBL29354322 0.90 EGFR (1.00) EGFRERBB2ERBB4JAK3GAK
SCHEMBL33136 0.90 EGFR (1.00) EGFRERBB2ERBB4JAK3GAK
Dacomitinib Anhydrous SCHEMBL33147 0.90 EGFR (1.00) EGFRERBB2ERBB4JAK3GAK
Dacomitinib Anhydrous SCHEMBL29377735 0.90 EGFR (1.00) EGFRERBB2ERBB4JAK3GAK
Dacomitinib Anhydrous SCHEMBL22498351 0.89 EGFR (1.00) EGFRERBB2ERBB4JAK3GAK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2712320-B1 METHOD FOR EGFR DIRECTED COMBINATION TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2019-10-02 EP disclosed
US-20160101175-A1 METHOD FOR EGFR DIRECTED COMBINATION TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2016-04-14 US disclosed
US-20140341926-A1 METHOD FOR EGFR DIRECTED COMBINATION TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
US-8828391-B2 Method for EGFR directed combination treatment of non-small cell lung cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 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-8466165-B2 4-phenylamino-quinazolin-6-yl-amides WARNER-LAMBERT COMPANY LLC (US) 2013-06-18 US disclosed
US-20120294867-A1 METHOD FOR EGFR DIRECTED COMBINATION TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-22 US disclosed
US-20100190977-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES PFIZER INC. 2010-07-29 US disclosed
EP-1746999-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES Warner-Lambert Company LLC (US) 2007-01-31 EP disclosed
WO-2005107758-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES WARNER-LAMBERT COMPANY LLC (US) 2005-11-17 WO disclosed
US-20050250761-A1 such as -Piperidin-1-yl-but-2-enoic acid [4(3-chloro-4-fluoro-phenylamino)-7-methoxy-quinazolin-6-yl]-amide, used as tyrosine kinase inhibitors, for the prevention of proliferative diseases, including cancer, atherosclerosis, restenosis, endometriosis and psoriasis PFIZER INC 2005-11-10 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 (6 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-20160101175-A1 METHOD FOR EGFR DIRECTED COMBINATION TREATMENT OF CANCER EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885ERBB4 4/4885
US-20140341926-A1 METHOD FOR EGFR DIRECTED COMBINATION TREATMENT OF CANCER EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885ERBB4 4/4885
US-20100190977-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES HRH4, HRH3, HRH2 EGFR 1504/4885ERBB2 1415/4885ERBB4 1648/4885
US-20050250761-A1 such as -Piperidin-1-yl-but-2-enoic acid [4(3-chloro-4-fluoro-phenylamino)-7-methoxy-quinazolin-6-yl]-amide, used as tyrosine kinase inhibitors, for the prevention of proliferative diseases, including cancer, atherosclerosis, restenosis, endometriosis and psoriasis JAK1, JAK2, EDNRA EGFR 41/4885ERBB2 8/4885ERBB4 38/4885
US-20120294867-A1 METHOD FOR EGFR DIRECTED COMBINATION TREATMENT OF CANCER EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885ERBB4 4/4885
US-20130274275-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES HRH4, HRH3, HRH2 EGFR 1504/4885ERBB2 1415/4885ERBB4 1648/4885

“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.