SCHEMBL4222431

SCHEMBL4222431

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCNCC1

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.98
ERBB2 P04626 3/20 0.82
CIT O14578 1/20 0.82
GAK O14976 1/20 0.82
EPHB6 O15197 1/20 0.82
ABCC4 O15439 1/20 0.82
DAPK3 O43293 1/20 0.82
RIPK2 O43353 1/20 0.82
NR1I2 O75469 1/20 0.82
RPS6KA4 O75676 1/20 0.82
STK17B O94768 1/20 0.82
STK10 O94804 1/20 0.82
PRKD3 O94806 1/20 0.82
ABCB11 O95342 1/20 0.82
MAP4K4 O95819 1/20 0.82
CHEK2 O96017 1/20 0.82
ABL1 P00519 1/20 0.82
LCK P06239 1/20 0.82
LYN P07948 1/20 0.82
RET P07949 1/20 0.82

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
SCHEMBL29731422 1.00 EGFR (0.98) EGFRERBB2CITGAKEPHB6
SCHEMBL22962690 0.92 EGFR (0.84) EGFRERBB2CITGAKEPHB6
SCHEMBL12012 0.92 EGFR (1.00) EGFRERBB2CITGAKEPHB6
SCHEMBL17520338 0.92 EGFR (1.00) EGFRERBB2CITGAKEPHB6
SCHEMBL22338480 0.92 EGFR (0.92) EGFRERBB2CITGAKEPHB6
SCHEMBL11395 0.92 EGFR (1.00) EGFRERBB2CITGAKEPHB6
SCHEMBL22336591 0.90 EGFR (0.86) EGFRERBB2CITGAKEPHB6
Gefitinib SCHEMBL29351046 0.90 EGFR (1.00) EGFRERBB2CITGAKEPHB6
Gefitinib SCHEMBL29351336 0.90 EGFR (1.00) EGFRERBB2CITGAKEPHB6
Gefitinib SCHEMBL465143 0.90 EGFR (1.00) EGFRERBB2CITGAKEPHB6

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
WO-2023093701-A1 PLATINUM (II) COMPOUND HAVING TARGETING EFFECT AND DERIVATIVE THEREOF, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE 东南大学 2023-06-01 WO disclosed
US-20230063768-A1 IMMUNOPHILIN BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-03-02 US disclosed
US-20220313829-A1 EGFR PROTEIN DEGRADANT AND ANTI-TUMOR APPLICATION THEREOF SHANGHAITECH UNIVERSITY (CN) 2022-10-06 US disclosed
US-20220193242-A1 IMMUNOPHILIN-DEPENDENT INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-06-23 US disclosed
WO-2022086853-A1 STAR POLYMER DRUG CONJUGATES AVIDEA TECHNOLOGIES, INC. (US) 2022-04-28 WO disclosed
WO-2020163598-A1 IMMUNOPHILIN-DEPENDENT INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-13 WO disclosed
WO-2020163594-A1 IMMUNOPHILIN BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-13 WO disclosed
US-20110008447-A1 CARRIER COMPRISING NANODIAMOND NATIONAL CHIAO TUNG UNIVERSITY (TW) 2011-01-13 US disclosed
US-20110008447-A1 CARRIER COMPRISING NANODIAMOND NATIONAL CHIAO TUNG UNIVERSITY (TW) 2011-01-13 US disclosed
US-20090203683-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, THEIR USE, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-13 US disclosed
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-03-23 US disclosed
EP-1163227-B1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-28 EP disclosed
US-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-28 US disclosed
EP-1163227-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM Boehringer Ingelheim Pharma KG (DE) 2001-12-19 EP disclosed
WO-2000055141-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-21 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 (7 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-20110008447-A1 CARRIER COMPRISING NANODIAMOND NDUFA9, NDUFB4, NDUFA2 EGFR 3886/4885ERBB2 2750/4885CIT 1940/4885
US-20220193242-A1 IMMUNOPHILIN-DEPENDENT INHIBITORS AND USES THEREOF CD74, CD2BP2, SERPINB1 EGFR 3898/4885ERBB2 3502/4885CIT 1289/4885
US-20090203683-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, THEIR USE, AND PROCESSES FOR PREPARING THEM REN, APC, PKD1 EGFR 2063/4885ERBB2 3690/4885CIT 2977/4885
US-20230063768-A1 IMMUNOPHILIN BINDING AGENTS AND USES THEREOF PMP22, MAG, FABP7 EGFR 3726/4885ERBB2 3924/4885CIT 1821/4885
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them REN, APC, PKD1 EGFR 2063/4885ERBB2 3690/4885CIT 2977/4885
US-20220313829-A1 EGFR PROTEIN DEGRADANT AND ANTI-TUMOR APPLICATION THEREOF EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885CIT 4245/4885
US-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, BDKRB1 EGFR 1367/4885ERBB2 2817/4885CIT 3482/4885

“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.