SCHEMBL797186

SCHEMBL797186

CCc1ccnc2c1CCCN2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
PARP1 P09874 11/20 0.37
AKT1S1 Q96B36 4/20 0.37
NNMT P40261 2/20 0.33

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
SCHEMBL11987587 0.89 HTR2C (0.43) HTR2AHTR2CHTR2BPARP1NNMT
SCHEMBL13302581 0.82 HTR2C (0.45) UHRF1HTR2AHTR2CHTR2BPARP1
SCHEMBL17041865 0.78 UHRF1 (0.55) UHRF1HTR2AHTR2CHTR2BPARP1
SCHEMBL797188 0.76 HTR2A (0.38) HTR2AHTR2CHTR2B
SCHEMBL23089693 0.73 UHRF1 (0.41) UHRF1HTR2AHTR2CHTR2BPARP1
SCHEMBL22337366 0.73 HTR2A (0.38) HTR2AHTR2CHTR2B
SCHEMBL580764 0.73 UHRF1 (0.41) UHRF1PARP1AKT1S1NNMT
SCHEMBL18542965 0.73 HTR2A (0.38) HTR2AHTR2CHTR2B
SCHEMBL23085984 0.73 UHRF1 (0.41) UHRF1PARP1AKT1S1NNMT
SCHEMBL16196456 0.73 UHRF1 (0.41) UHRF1PARP1AKT1S1NNMT

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
US-11840536-B2 Heterocyclic inhibitors of PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-12-12 US disclosed
EP-4186897-A1 PYRIDINECARBOXAMIDE COMPOUND USEFUL AS PIM KINASE INHIBITOR Incyte Holdings Corporation (US) 2023-05-31 EP disclosed
EP-3670506-B1 THIAZOLECARBOXAMIDES AND PYRIDINECARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE HOLDINGS CORP (US) 2023-01-04 EP disclosed
US-10954243-B2 Substituted heterocyclic inhibitors of PTPN11 NAVIRE PHARMA, INC. (US) 2021-03-23 US disclosed
US-20210017182-A1 HETEROCYCLIC INHIBITORS OF PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-01-21 US disclosed
US-10851110-B2 Heterocyclic inhibitors of PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-12-01 US disclosed
EP-3670506-A1 THIAZOLECARBOXAMIDES AND PYRIDINECARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS Incyte Holdings Corporation (US) 2020-06-24 EP disclosed
US-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2020-02-06 US disclosed
US-20190270746-A1 HETEROCYCLIC INHIBITORS OF PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-09-05 US disclosed
US-9580443-B2 Heterocyclic derivatives as modulators of kinase activity MERCK PATENT GMBH (DE) 2017-02-28 US disclosed
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES KIM TAE-SEONG (US) 2012-03-22 US disclosed
US-8088794-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2012-01-03 US disclosed
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7858623-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-20080312232-A1 Substituted amide derivatives and methods of use AMGEN INC. (US) 2008-12-18 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 (9 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-20210017182-A1 HETEROCYCLIC INHIBITORS OF PTPN11 PTPRJ, PTPN11, PTPRCAP UHRF1 1262/4885HTR2A 3673/4885HTR2C 3463/4885
US-10851110-B2 Heterocyclic inhibitors of PTPN11 PTPRJ, PTPN11, PTPRCAP UHRF1 1262/4885HTR2A 3673/4885HTR2C 3463/4885
US-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 UHRF1 3917/4885HTR2A 2096/4885HTR2C 2824/4885
US-20080312232-A1 Substituted amide derivatives and methods of use HGF, HGFAC, MET UHRF1 4010/4885HTR2A 3904/4885HTR2C 4020/4885
US-10954243-B2 Substituted heterocyclic inhibitors of PTPN11 PTPN11, PTPRJ, PTPRCAP UHRF1 1539/4885HTR2A 3477/4885HTR2C 3150/4885
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES HGF, HGFAC, MET UHRF1 3639/4885HTR2A 3732/4885HTR2C 3791/4885
US-20190270746-A1 HETEROCYCLIC INHIBITORS OF PTPN11 PTPRJ, PTPN11, PTPRCAP UHRF1 1262/4885HTR2A 3673/4885HTR2C 3463/4885
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET UHRF1 4010/4885HTR2A 3904/4885HTR2C 4020/4885
US-11840536-B2 Heterocyclic inhibitors of PTPN11 PTPRJ, PTPN11, PTPRCAP UHRF1 1262/4885HTR2A 3673/4885HTR2C 3463/4885

“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.