SCHEMBL559901

SCHEMBL559901

Fc1ccc2cncnc2c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.60
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
IMPDH2 P12268 2/20 0.43
PIK3CA P42336 2/20 0.42
PIK3CD O00329 1/20 0.42
TDO2 P48775 1/20 0.42
MAPT P10636 1/20 0.41
BAZ1A Q9NRL2 1/20 0.40
KDM4E B2RXH2 1/20 0.38
BACE1 P56817 1/20 0.38
NOTUM Q6P988 1/20 0.38

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
SCHEMBL17410801 0.83 EGFR (0.60) EGFRPIK3CAPIK3CDTDO2MAPT
SCHEMBL29891394 0.83 EGFR (0.60) EGFRPIK3CAPIK3CDTDO2MAPT
SCHEMBL8641138 0.78 EGFR (0.64) EGFRIMPDH2PIK3CAPIK3CDTDO2
SCHEMBL1771613 0.75 EGFR (0.60) EGFRIMPDH2PIK3CAPIK3CDTDO2
SCHEMBL277541 0.75 EGFR (0.60) EGFRPDGFRBPDGFRAIMPDH2PIK3CA
SCHEMBL277540 0.75 EGFR (0.60) EGFRIMPDH2PIK3CAPIK3CDTDO2
SCHEMBL18618545 0.75 EGFR (0.60) EGFRIMPDH2PIK3CAPIK3CDTDO2
SCHEMBL21936740 0.75 EGFR (0.60) EGFRIMPDH2PIK3CAPIK3CDTDO2
SCHEMBL1403684 0.75 EGFR (1.00) EGFRIMPDH2TDO2MAPTKDM4E
SCHEMBL8207570 0.75 EGFR (0.60) EGFRIMPDH2PIK3CAPIK3CDTDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116640095-A Diaryl amine derivative containing aliphatic carboxyl and preparation method and application thereof 山东大学 2023-08-25 CN claimed
CN-115417825-A Five-membered or six-membered fused ring pyrimidine cyclopropyl naphthalene derivative and preparation method and application thereof 山东大学 2022-12-02 CN claimed
CN-119490461-A Trifluoromethyl substituted quinazolinone compound, preparation method and application 平顶山学院 2025-02-21 CN disclosed
CN-115417825-B Five-membered or six-membered fused ring pyrimidine cyclopropyl naphthalene derivative and preparation method and application thereof 山东大学 2024-06-28 CN disclosed
CN-116640095-A Diaryl amine derivative containing aliphatic carboxyl and preparation method and application thereof 山东大学 2023-08-25 CN disclosed
CN-115417825-A Five-membered or six-membered fused ring pyrimidine cyclopropyl naphthalene derivative and preparation method and application thereof 山东大学 2022-12-02 CN disclosed
US-11332462-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2022-05-17 US disclosed
US-11332462-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2022-05-17 US disclosed
US-20200277286-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2020-09-03 US disclosed
US-20200277286-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2020-09-03 US disclosed
CN-107892684-B Quinazoline derivatives, pharmaceutical compositions thereof, and use as medicaments 锦州奥鸿药业有限责任公司 2020-05-26 CN disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
EP-2024342-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS Pfizer Products Incorporated (US) 2009-02-18 EP disclosed
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 WO disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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 (5 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-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 EGFR 455/4885PDGFRB 1845/4885PDGFRA 1567/4885
US-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 EGFR 4/4885PDGFRB 382/4885PDGFRA 242/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 EGFR 2/4885PDGFRB 117/4885PDGFRA 74/4885
US-20200277286-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GRIN2C, TPMT EGFR 4386/4885PDGFRB 4034/4885PDGFRA 3872/4885
US-11332462-B2 Heteroaryl compounds and methods of use thereof COMT, GRIN2C, TPMT EGFR 4386/4885PDGFRB 4034/4885PDGFRA 3872/4885

“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.