SCHEMBL7879463

SCHEMBL7879463

CC1(C)OB(c2ccc(OCCN3CCOCC3)nc2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.47
SIGMAR1 Q99720 8/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
KCNH2 Q12809 1/20 0.40
HTR2B P41595 1/20 0.40
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
NPC1 O15118 1/20 0.39
LTA4H P09960 1/20 0.39

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
SCHEMBL9906435 0.94 DGAT1 (0.47) DGAT1SIGMAR1TSHRKCNH2HTR2B
SCHEMBL4111762 0.90 DGAT1 (0.49) DGAT1HTR2BLTA4H
SCHEMBL17531642 0.89 DGAT1 (0.48) DGAT1TSHRHTR2BLTA4H
SCHEMBL9906434 0.84 HRH3 (0.53) DGAT1LTA4H
SCHEMBL17242530 0.84 HRH3 (0.50) DGAT1LTA4H
SCHEMBL31217379 0.84 POLB (0.40) SIGMAR1POLBTSHRKCNH2HTR2B
SCHEMBL29705162 0.83 HRH3 (0.55) DGAT1KCNH2LTA4H
SCHEMBL18632015 0.83 HRH3 (0.55) DGAT1KCNH2LTA4H
SCHEMBL30192619 0.83 DGAT1 (0.47) DGAT1SIGMAR1NPC1
SCHEMBL20844051 0.83 DGAT1 (0.45) DGAT1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10052330-B2 Substituted pyrido[3,4-b]pyrazines as Syk inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2018-08-21 US disclosed
EP-2718293-B1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LTD (CN) 2017-10-25 EP disclosed
EP-2718293-B1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LTD (CN) 2017-10-25 EP disclosed
US-20160324864-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED 2016-11-10 US disclosed
US-20160324864-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED 2016-11-10 US disclosed
US-20160324864-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED 2016-11-10 US disclosed
US-9434726-B2 Substituted pyrido[3,4-b]pyrazines as Syk inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2016-09-06 US disclosed
US-9434726-B2 Substituted pyrido[3,4-b]pyrazines as Syk inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2016-09-06 US disclosed
US-9434726-B2 Substituted pyrido[3,4-b]pyrazines as Syk inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2016-09-06 US disclosed
US-20140121200-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2014-05-01 US disclosed
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-09-27 US disclosed
US-8198273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-06-12 US disclosed
US-8198273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-06-12 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 US disclosed
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 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 (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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF DGAT1 4032/4885SIGMAR1 2803/4885POLB 2779/4885
US-20160324864-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS SYK, BTK, LYN DGAT1 4812/4885SIGMAR1 1266/4885POLB 2649/4885
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME AOC3, CBR3, IDH3B DGAT1 3924/4885SIGMAR1 292/4885POLB 1576/4885
US-10052330-B2 Substituted pyrido[3,4-b]pyrazines as Syk inhibitors SYK, BTK, TYRO3 DGAT1 4862/4885SIGMAR1 1561/4885POLB 2465/4885
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 DGAT1 2140/4885SIGMAR1 3841/4885POLB 3217/4885
US-20140121200-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS SYK, BTK, LYN DGAT1 4747/4885SIGMAR1 1052/4885POLB 2852/4885
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, RAF1 DGAT1 2140/4885SIGMAR1 3841/4885POLB 3217/4885

“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.