SCHEMBL10061876

SCHEMBL10061876

OCc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.78
▸ ERBB2 P04626 4/20 0.78
▸ KIT P10721 3/20 0.78
▸ SRC P12931 3/20 0.78
▸ ERBB3 P21860 3/20 0.78
▸ ERBB4 Q15303 3/20 0.78
▸ CIT O14578 2/20 0.78
▸ GAK O14976 2/20 0.78
▸ EPHB6 O15197 2/20 0.78
▸ RIPK2 O43353 2/20 0.78
▸ STK17B O94768 2/20 0.78
▸ STK10 O94804 2/20 0.78
▸ ABL1 P00519 2/20 0.78
▸ LCK P06239 2/20 0.78
▸ LYN P07948 2/20 0.78
▸ RET P07949 2/20 0.78
▸ MET P08581 2/20 0.78
▸ HCK P08631 2/20 0.78
▸ FGR P09769 2/20 0.78
▸ EPHA1 P21709 2/20 0.78

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
SCHEMBL14286267 0.92 EGFR (0.81) EGFRERBB2KITSRCERBB3
SCHEMBL28713534 0.92 EGFR (0.92) EGFRERBB2KITSRCERBB3
SCHEMBL29577833 0.92 EGFR (0.92) EGFRERBB2KITSRCERBB3
SCHEMBL31491119 0.91 EGFR (0.85) EGFRERBB2KITSRCERBB3
SCHEMBL20024367 0.90 EGFR (0.66) EGFRERBB2KITSRCERBB3
SCHEMBL19236250 0.90 EGFR (0.80) EGFRERBB2KITSRCERBB3
SCHEMBL29683371 0.90 EGFR (0.80) EGFRERBB2KITSRCERBB3
SCHEMBL31491114 0.89 EGFR (0.87) EGFRERBB2KITSRCERBB3
SCHEMBL19612073 0.88 EGFR (0.86) EGFRERBB2KITSRCERBB3
SCHEMBL21350019 0.88 EGFR (0.80) EGFRERBB2KITSRCERBB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10034851-B2 Metal-salen complex compound, local anesthetic and antineoplastic drug IHI CORPORATION (JP) 2018-07-31 — — US disclosed
US-9895377-B2 Solid forms of tyrosine kinase inhibitors, process for the preparation and their pharmaceutical composition thereof LAURUS LABS LIMITED (IN) 2018-02-20 — — US disclosed
US-20180008607-A1 NOVEL EGFR MODULATORS AND USES THEREOF ACEA BIOSCIENCES INC. (US) 2018-01-11 — — US disclosed
US-9763949-B2 EGFR modulators and uses thereof ACEA BIOSCIENCES INC. (US) 2017-09-19 — — US disclosed
US-20170224689-A1 NOVEL PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES ACEA BIOSCIENCES INC. (US) 2017-08-10 — — US disclosed
US-9623027-B2 — — 2017-04-18 — — US disclosed
US-9586965-B2 Pyrrolo[2,3-d]pyrimidine compounds as inhibitors of protein kinases ACEA BIOSCIENCES INC. (US) 2017-03-07 — — US disclosed
US-9505732-B2 Auto magnetic metal salen complex compound IHI CORPORATION (JP) 2016-11-29 — — US disclosed
US-20160263074-A1 METAL-SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC AND ANTINEOPLASTIC DRUG ISHIKAWA YOSHIHIRO (JP) 2016-09-15 — — US disclosed
US-20160208215-A1 Generation of Endocrine Progenitor Cells from Human Pluripotent Stem Cells Using Small Molecules TAKARA BIO EUROPE AB (SE) 2016-07-21 — — US disclosed
US-20140206635-A1 METAL-SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC AND ANTINEOPLASTIC DRUG IHI CORPORATION (JP) 2014-07-24 — — US disclosed
US-20140046021-A1 SELF-MAGNETIC METAL-SALEN COMPLEX COMPOUND IHI CORPORATION (JP) 2014-02-13 — — US disclosed
US-20140038940-A1 NOVEL EGFR MODULATORS AND USES THEREOF ACEA Therapeutics, Inc. 2014-02-06 — — US disclosed
US-20140038981-A1 NOVEL EGFR MODULATORS AND USES THEREOF ACEA Therapeutics, Inc. 2014-02-06 — — US disclosed
US-20140031352-A1 SOLID FORMS OF TYROSINE KINASE INHIBITORS, PROCESS FOR THE PREPARATION AND THEIR PHARMACEUTICAL COMPOSITION THEREOF LAURUS LABS PRIVATE LIMITED (IN) 2014-01-30 — — 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-20120029167-A1 AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND YOSHIHIRO ISHIKAWA (JP) 2012-02-02 — — US disclosed
US-20120029167-A1 AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND YOSHIHIRO ISHIKAWA (JP) 2012-02-02 — — 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 (13 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 6/4885KIT 684/4885
US-20120029167-A1 AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND SDHB, SDHA, SLC40A1 EGFR 4323/4885ERBB2 3639/4885KIT 3533/4885
US-20140031352-A1 SOLID FORMS OF TYROSINE KINASE INHIBITORS, PROCESS FOR THE PREPARATION AND THEIR PHARMACEUTICAL COMPOSITION THEREOF ABL1, SRC, TYRO3 EGFR 88/4885ERBB2 8/4885KIT 362/4885
US-20140038940-A1 NOVEL EGFR MODULATORS AND USES THEREOF EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885KIT 175/4885
US-20140206635-A1 METAL-SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC AND ANTINEOPLASTIC DRUG NCLN, KCNN2, NCSTN EGFR 2282/4885ERBB2 1714/4885KIT 3791/4885
US-20180008607-A1 NOVEL EGFR MODULATORS AND USES THEREOF EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885KIT 175/4885
US-10034851-B2 Metal-salen complex compound, local anesthetic and antineoplastic drug NCLN, KCNN2, NCSTN EGFR 2282/4885ERBB2 1714/4885KIT 3791/4885
US-20170224689-A1 NOVEL PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES BMX, ITK, BLK EGFR 64/4885ERBB2 16/4885KIT 410/4885
US-20140046021-A1 SELF-MAGNETIC METAL-SALEN COMPLEX COMPOUND SSBP1, KCNN1, IMMT EGFR 4330/4885ERBB2 4183/4885KIT 4701/4885
US-20130266563-A1 SUBSTITUTED 4-(SELENOPHEN-2(OR-3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF RPS6, SULT1E1, SCLY EGFR 319/4885ERBB2 258/4885KIT 1601/4885
US-20130287767-A1 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF SELENOI, VHL, DPYD EGFR 443/4885ERBB2 1100/4885KIT 1378/4885
US-20160263074-A1 METAL-SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC AND ANTINEOPLASTIC DRUG NCLN, KCNN2, NCSTN EGFR 2282/4885ERBB2 1714/4885KIT 3791/4885
US-20140038981-A1 NOVEL EGFR MODULATORS AND USES THEREOF EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885KIT 175/4885

“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.

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