SCHEMBL13899002

SCHEMBL13899002

CC(C)NCc1nc2ccccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.66
DDAH1 O94760 1/20 0.59
MYC P01106 1/20 0.54
POLB P06746 1/20 0.54
ALPL P05186 1/20 0.52
MAPK1 P28482 1/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
BCHE P06276 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL21056180 0.87 PKM (0.62) PKMDDAH1POLBALPLMAPK1
SCHEMBL31298007 0.81 PKM (0.96) PKMDDAH1POLBKDM4EGAA
SCHEMBL336412 0.81 PKM (0.96) PKMDDAH1POLBKDM4EGAA
SCHEMBL711507 0.80 PKM (0.71) PKMDDAH1POLBGAASMN1; SMN2
SCHEMBL31734838 0.80 PKM (0.71) PKMDDAH1POLBGAASMN1; SMN2
SCHEMBL19001265 0.80 PKM (0.42) PKMDDAH1MYCALPLMAPK1
Hydrochloric Acid SCHEMBL30689215 0.79 PKM (1.00) PKMDDAH1POLBKDM4EGAA
Hydrochloric Acid SCHEMBL5205174 0.79 PKM (1.00) PKMDDAH1POLBKDM4EGAA
Hydrochloric Acid SCHEMBL5973175 0.79 PKM (1.00) PKMDDAH1POLBKDM4EGAA
SCHEMBL21941037 0.79 PKM (0.69) PKMDDAH1POLBGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210213014-A1 METHODS OF USING EHMT2 INHIBITORS IN IMMUNOTHERAPIES Epizyme, Inc. 2021-07-15 US disclosed
WO-2017181177-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme, Inc. (US) 2017-10-19 WO disclosed
US-9422308-B2 Derivatives of docosahexaenoylethanolamide and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-08-23 US disclosed
US-20160083397-A1 PARTHENOLIDE DERIVATIVES AND THEIR MODULATION OF PROCESSES CONTROLLED BY REGULATED TRANSLATION BIOVENTURES, LLC 2016-03-24 US disclosed
US-20150031878-A1 DERIVATIVES OF DOCOSAHEXAENOYLETHANOLAMIDE AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2015-01-29 US disclosed
US-7511046-B2 Thienoisoxazolyl- and thienylpyrrazolyl-phenoxy substituted propyl derivatives useful as D4 antagonists AVENTIS HOKLINGS INC. (US) 2009-03-31 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
US-20080070916-A1 Dihydropyrancarboxamides and uses thereof SCHREIBER STUART L 2008-03-20 US disclosed
US-7186709-B2 Subjecting a vinyl ethers and an unsaturated ketoester to suitable conditions to generate a scaffold having the core dihydropyrancarboxamide or dihydropyrancarboxylic ester or acid; anticarcinogenic agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-03-06 US disclosed
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-01-04 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-20080070916-A1 Dihydropyrancarboxamides and uses thereof CCNA1, DPYD, DHFR PKM 1032/4885DDAH1 137/4885MYC 1274/4885
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea MKI67, CCNI, CDKN1A PKM 150/4885DDAH1 1450/4885MYC 32/4885
US-20150031878-A1 DERIVATIVES OF DOCOSAHEXAENOYLETHANOLAMIDE AND USES THEREOF GAP43, DGAT2, DCX PKM 4289/4885DDAH1 257/4885MYC 1984/4885
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS DRD4, DRD2, SLC6A3 PKM 1565/4885DDAH1 882/4885MYC 4468/4885
US-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 PKM 1645/4885DDAH1 3785/4885MYC 1387/4885
US-20160083397-A1 PARTHENOLIDE DERIVATIVES AND THEIR MODULATION OF PROCESSES CONTROLLED BY REGULATED TRANSLATION EIF4EBP1, RIOX2, RPL7A PKM 1546/4885DDAH1 2159/4885MYC 75/4885
US-20210213014-A1 METHODS OF USING EHMT2 INHIBITORS IN IMMUNOTHERAPIES EHMT2, BHMT2, BHMT PKM 1941/4885DDAH1 1113/4885MYC 2104/4885

“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.