SCHEMBL217553

SCHEMBL217553

O=[N+]([O-])c1ccc2c(cnn2Cc2cccc(F)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.57
IDO1 P14902 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
EPHX2 P34913 2/20 0.48
PPARG P37231 2/20 0.48
EGFR P00533 7/20 0.46
ERBB2 P04626 7/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
MAPT P10636 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
SLC29A1 Q99808 1/20 0.42
CNR1 P21554 1/20 0.42
ACHE P22303 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL30729901 1.00 GLS (0.57) GLSIDO1MEN1KMT2AEPHX2
SCHEMBL5435879 0.86 GLS (0.61) GLSKMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL1728790 0.86 GLS (0.64) GLSMAPTCNR1ACHECNR2
SCHEMBL11002083 0.83 GLS (0.67) GLSMEN1KMT2AMAPTADORA2A
SCHEMBL3506368 0.83 GLS (0.54) GLSADORA2AADORA1RECQL
SCHEMBL3376313 0.83 GLS (0.54) GLSMEN1KMT2AEPHX2PPARG
SCHEMBL29377015 0.82 GLS (0.58) GLSEGFRERBB2GRIN1GRIN2B
SCHEMBL27083759 0.82 GLS (0.58) GLSEGFRERBB2GRIN1GRIN2B
SCHEMBL16213110 0.81 ERBB2 (0.61) MEN1KMT2AEGFRERBB2CYP1A2
SCHEMBL3378095 0.81 GLS (0.57) GLSGRIN1GRIN2BMAPTCNR1

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240059698-A1 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES ACCUTAR BIOTECHNOLOGY INC. (US) 2024-02-22 US disclosed
WO-2024026056-A2 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-02-01 WO disclosed
CN-104744446-B Heteroaryl compound and its application in drug 广东东阳光药业有限公司 2019-06-25 CN disclosed
US-9168253-B2 Quinazoline compounds HUTCHISON MEDIPHARMA LIMITED (CN) 2015-10-27 US disclosed
US-9168253-B2 Quinazoline compounds HUTCHISON MEDIPHARMA LIMITED (CN) 2015-10-27 US disclosed
CN-104744446-A Hetero-aromatic compound and application thereof in medicine GUANGDONG HEC PHARMACEUTICAL 2015-07-01 CN disclosed
US-8987284-B2 Phosphorus containing quinazoline compounds and methods of use NEWGEN THERAPEUTICS, INC. (US) 2015-03-24 US disclosed
CN-103304572-A 3-cyanoquinoline compound as well as pharmaceutical composition and application thereof SHANGHAI PHARMACEUTICAL GROUP CO LTD 2013-09-18 CN disclosed
US-8524722-B2 Substituted tricyclic compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-03 US disclosed
US-8524722-B2 Substituted tricyclic compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-03 US disclosed
US-20050209235-A1 C-5 Modified indazolylpyrrolotriazines MASTALERZ HAROLD 2005-09-22 US disclosed
EP-1567506-A2 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS Array Biopharma, Inc. (US) 2005-08-31 EP disclosed
US-6908916-B2 C-5 modified indazolylpyrrolotriazines BRISTOL MYERS SQUIBB COMPANY (US) 2005-06-21 US disclosed
US-20050101617-A1 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ARRAY BIOPHARMA, INC. 2005-05-12 US disclosed
CN-1615306-A C-5 modified indazolylpyrrolotriazines BRISTOL MYERS SQUIBB CO (US) 2005-05-11 CN disclosed
WO-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO disclosed
EP-1446401-A2 C-5 MODIFIED INDAZOLYLPYRROLOTRIAZINES Bristol-Myers Squibb Company (US) 2004-08-18 EP disclosed
WO-2004046101-A2 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ARRAY BIOPHARMA, INC. (US) 2004-06-03 WO disclosed
US-20030186983-A1 C-5 Modified indazolylpyrrolotriazines BRISTOL-MYERS SQUIBB COMPANY 2003-10-02 US disclosed
WO-2003042172-A2 C-5 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-22 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 (4 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-20030186983-A1 C-5 Modified indazolylpyrrolotriazines ERBB2, ERBB4, EGFR GLS 1787/4885IDO1 320/4885MEN1 2138/4885
US-20050209235-A1 C-5 Modified indazolylpyrrolotriazines ERBB2, ERBB4, EGFR GLS 1581/4885IDO1 364/4885MEN1 2738/4885
US-20050101617-A1 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ERBB2, GRB2, EGFR GLS 148/4885IDO1 4012/4885MEN1 2095/4885
US-20240059698-A1 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES EGFR, ERBB2, ERBB3 GLS 477/4885IDO1 3487/4885MEN1 4366/4885

“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.