SCHEMBL2945927

SCHEMBL2945927

Clc1nc(NC2CCCCC2)c2ncn(C3CCCCO3)c2n1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.76
ADORA3 P0DMS8 8/20 0.61
ADORA1 P30542 7/20 0.61
ADORA2A P29274 6/20 0.61
ADORA2B P29275 3/20 0.61
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL5447191 1.00 YTHDC1 (0.76) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL16549238 0.99 YTHDC1 (0.77) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL17902888 0.98 YTHDC1 (0.76) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL2943022 0.97 YTHDC1 (0.77) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL2709647 0.97 YTHDC1 (0.77) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL2709651 0.97 YTHDC1 (0.77) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL2946809 0.93 YTHDC1 (0.72) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL17262855 0.91 YTHDC1 (0.72) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL3712640 0.89 YTHDC1 (0.66) YTHDC1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL1713275 0.86 YTHDC1 (0.79) YTHDC1ADORA3ADORA1ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106456580-B Heterocyclic hydroxamic acids as protein deacetylase inhibitors and dual protein deacetylase-protein kinase inhibitors and methods of use thereof 科罗拉多州立大学董事会法人团体 2020-09-04 CN disclosed
US-RE47690-E1 Heterocyclic hydroxamic acids as protein deacetylase inhibitors and dual protein deacetylase-protein kinase inhibitors and methods of use thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2019-11-05 US disclosed
US-RE47690-E1 Heterocyclic hydroxamic acids as protein deacetylase inhibitors and dual protein deacetylase-protein kinase inhibitors and methods of use thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2019-11-05 US disclosed
US-9908884-B2 EGFR inhibitors and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 US disclosed
US-20180044352-A1 Heterocyclic Hydroxamic Acids as Protein Deacetylase Inhibitors and Dual Protein Deacetylase-Protein Kinase Inhibitors and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2018-02-15 US disclosed
US-20180044352-A1 Heterocyclic Hydroxamic Acids as Protein Deacetylase Inhibitors and Dual Protein Deacetylase-Protein Kinase Inhibitors and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2018-02-15 US disclosed
US-9840520-B2 Heterocyclic hydroxamic acids as protein deacetylase inhibitors and dual protein deacetylase-protein kinase inhibitors and methods of use thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-12-12 US disclosed
US-9840520-B2 Heterocyclic hydroxamic acids as protein deacetylase inhibitors and dual protein deacetylase-protein kinase inhibitors and methods of use thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-12-12 US disclosed
US-20170081343-A1 Heterocyclic Hydroxamic Acids as Protein Deacetylase Inhibitors and Dual Protein Deacetylase-Protein Kinase Inhibitors and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-03-23 US disclosed
US-20170081343-A1 Heterocyclic Hydroxamic Acids as Protein Deacetylase Inhibitors and Dual Protein Deacetylase-Protein Kinase Inhibitors and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-03-23 US disclosed
US-20170081343-A1 Heterocyclic Hydroxamic Acids as Protein Deacetylase Inhibitors and Dual Protein Deacetylase-Protein Kinase Inhibitors and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-03-23 US disclosed
EP-3142652-A1 HETEROCYCLIC HYDROXAMIC ACIDS AS PROTEIN DEACETYLASE INHIBITORS AND DUAL PROTEIN DEACETYLASE-PROTEIN KINASE INHIBITORS AND METHODS OF USE THEREOF The Regents of the University of Colorado, a body corporate (US) 2017-03-22 EP disclosed
WO-2015175813-A1 HETEROCYCLIC HYDROXAMIC ACIDS AS PROTEIN DEACETYLASE INHIBITORS AND DUAL PROTEIN DEACETYLASE-PROTEIN KINASE INHIBITORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2015-11-19 WO disclosed
WO-2015175813-A1 HETEROCYCLIC HYDROXAMIC ACIDS AS PROTEIN DEACETYLASE INHIBITORS AND DUAL PROTEIN DEACETYLASE-PROTEIN KINASE INHIBITORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2015-11-19 WO disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 US disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 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 (4 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-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS EGFR, ERBB2, ERBB4 YTHDC1 4725/4885ADORA3 1103/4885ADORA1 1330/4885
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 YTHDC1 4523/4885ADORA3 1744/4885ADORA1 2771/4885
US-20170081343-A1 Heterocyclic Hydroxamic Acids as Protein Deacetylase Inhibitors and Dual Protein Deacetylase-Protein Kinase Inhibitors and Methods of Use Thereof TTK, HDAC1, HDAC6 YTHDC1 3923/4885ADORA3 4624/4885ADORA1 4373/4885
US-20180044352-A1 Heterocyclic Hydroxamic Acids as Protein Deacetylase Inhibitors and Dual Protein Deacetylase-Protein Kinase Inhibitors and Methods of Use Thereof TTK, HDAC1, HDAC6 YTHDC1 3923/4885ADORA3 4624/4885ADORA1 4373/4885

“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.