SCHEMBL13413785

SCHEMBL13413785

C#Cc1cccc(Nc2ncnc3cc(OCCCO)c(OCCCO)cc23)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.80
ERBB2 P04626 7/20 0.77
GAK O14976 3/20 0.77
RIPK2 O43353 2/20 0.77
BUB1 O43683 2/20 0.77
STK10 O94804 2/20 0.77
ABL1 P00519 2/20 0.77
LCK P06239 2/20 0.77
LYN P07948 2/20 0.77
RET P07949 2/20 0.77
SRC P12931 2/20 0.77
FGFR2 P21802 2/20 0.77
FECH P22830 2/20 0.77
KDR P35968 2/20 0.77
FLT3 P36888 2/20 0.77
MAP3K1 Q13233 2/20 0.77
PLK4 O00444 1/20 0.77
CIT O14578 1/20 0.77
AURKA O14965 1/20 0.77
EPHB6 O15197 1/20 0.77

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
SCHEMBL1507594 0.95 EGFR (0.89) EGFRERBB2GAKRIPK2BUB1
Hydrochloric Acid SCHEMBL1507714 0.94 EGFR (0.87) EGFRERBB2GAKRIPK2BUB1
Hydrochloric Acid SCHEMBL29607083 0.94 EGFR (0.87) EGFRERBB2GAKRIPK2BUB1
Erlotinib SCHEMBL27924332 0.91 EGFR (0.88) EGFRERBB2GAKRIPK2BUB1
SCHEMBL29577864 0.90 EGFR (0.79) EGFRERBB2GAKRIPK2BUB1
SCHEMBL4108602 0.90 FBP1 (0.84) EGFRERBB2GAKRIPK2BUB1
SCHEMBL1731532 0.90 EGFR (0.87) EGFRERBB2GAKRIPK2BUB1
Hydrochloric Acid SCHEMBL1507613 0.89 EGFR (0.83) EGFRERBB2GAKRIPK2BUB1
SCHEMBL1656960 0.89 FBP1 (0.85) EGFRERBB2GAKRIPK2BUB1
SCHEMBL1507409 0.89 EGFR (1.00) EGFRERBB2GAKRIPK2BUB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159529-A1 AROMATIC COMPOUND AND APPLICATION THEREOF IN ANTITUMOR DRUG SHANGHAI ZHEYE BIOTECHNOLOGY CO., LTD. (CN) 2023-05-25 US disclosed
US-20230143751-A1 Aromatic Compound And Use Thereof In Preparing Antineoplastic Drugs SHANGHAI ZHEYE BIOTECHNOLOGY CO. LTD. (CN) 2023-05-11 US disclosed
US-9090633-B2 Substituted 4-(arylamino) selenophenopyrimidine compounds and methods of use thereof KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2015-07-28 US disclosed
US-8815879-B2 Substituted 4-(selenophen-2(or-3)-ylamino)pyrimidine compounds and methods of use thereof KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (US) 2014-08-26 US disclosed
US-20130287767-A1 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2013-10-31 US disclosed
US-20130266563-A1 SUBSTITUTED 4-(SELENOPHEN-2(OR-3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2013-10-10 US disclosed
US-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-18 US disclosed
US-8318702-B2 Di(arylamino)aryl compounds ASTELLAS PHARMA INC. (JP) 2012-11-27 US disclosed
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-22 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-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK EGFR 2/4885ERBB2 6/4885GAK 1183/4885
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK EGFR 2/4885ERBB2 6/4885GAK 1183/4885
US-20230143751-A1 Aromatic Compound And Use Thereof In Preparing Antineoplastic Drugs TYR, MAPT, DDC EGFR 1357/4885ERBB2 862/4885GAK 2103/4885
US-20130266563-A1 SUBSTITUTED 4-(SELENOPHEN-2(OR-3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF RPS6, SULT1E1, SCLY EGFR 319/4885ERBB2 258/4885GAK 2130/4885
US-20130287767-A1 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF SELENOI, VHL, DPYD EGFR 443/4885ERBB2 1100/4885GAK 740/4885
US-20230159529-A1 AROMATIC COMPOUND AND APPLICATION THEREOF IN ANTITUMOR DRUG TYR, APC, TP53 EGFR 1247/4885ERBB2 861/4885GAK 2475/4885

“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.