SCHEMBL4438468

SCHEMBL4438468

CC(C)N1CCC(CC#N)CC1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.39
KCNH2 Q12809 1/20 0.33
NSD2 O96028 1/20 0.31

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
SCHEMBL24733237 0.93 HRH3 (0.36) HRH3KCNH2
SCHEMBL25589224 0.88 HRH3 (0.34) HRH3
SCHEMBL2901919 0.80 KDM4E (0.33) HRH3
SCHEMBL13741658 0.80 HRH3 (0.42) HRH3KCNH2NSD2
SCHEMBL6464178 0.79 HRH3 (0.39) HRH3KCNH2
SCHEMBL22358332 0.78 TSHR (0.30)
SCHEMBL26890222 0.77 DRD2 (0.40) KCNH2
SCHEMBL27012408 0.76 HRH3 (0.37) HRH3KCNH2
SCHEMBL26299341 0.76 HRH3 (0.35) HRH3
SCHEMBL125618 0.76 NCF1 (0.50) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022143628-A1 METHOD FOR PREVENTING OR TREATING DISEASE OR CONDITION ASSOCIATED WITH ANTITUMOR AGENT 上海岸阔医药科技有限公司 2022-07-07 WO disclosed
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents GI Therapeutics, Inc. (US) 2020-11-10 US disclosed
US-20200331925-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ABNORMAL CELLULAR PROLIFERATION G1 THERAPEUTICS, INC. (US) 2020-10-22 US disclosed
US-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER G1 THERAPEUTICS, INC. (US) 2020-07-30 US disclosed
US-20200190095-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF ABS DEVELOPMENT 1, INC. 2020-06-18 US disclosed
US-10654831-B2 Antiproliferative pyrimidine-based compounds G1 THERAPEUTICS, INC. (US) 2020-05-19 US disclosed
US-10647720-B2 Pyrimido-pyridazinone compounds and methods of use thereof Asan BioSciences, LLC (US) 2020-05-12 US disclosed
US-20190135784-A1 ANTIPROLIFERATIVE PYRIMIDINE-BASED COMPOUNDS G1 THERAPEUTICS, INC. (US) 2019-05-09 US disclosed
US-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2019-05-09 US disclosed
US-20190092779-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF Libertas Bio, Inc. 2019-03-28 US disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER ASANA BIOSCIENCES, LLC (US) 2017-06-08 US disclosed
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER ASANA BIOSCIENCES, LLC (US) 2017-06-08 US disclosed
US-9382277-B2 Pyrimido-pyridazinone compounds and methods of use thereof ASANA BIOSCIENCES, LLC (US) 2016-07-05 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO disclosed
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 EP disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 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 (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-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD HRH3 3742/4885KCNH2 4779/4885NSD2 447/4885
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 HRH3 1828/4885KCNH2 2790/4885NSD2 1738/4885
US-20190135784-A1 ANTIPROLIFERATIVE PYRIMIDINE-BASED COMPOUNDS MKI67, TYMS, TYMP HRH3 3844/4885KCNH2 4727/4885NSD2 376/4885
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents MKI67, DPYD, PCNA HRH3 3893/4885KCNH2 4395/4885NSD2 413/4885
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER MKI67, DPYD, TYMP HRH3 2015/4885KCNH2 2545/4885NSD2 2836/4885
US-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER TYMS, TYMP, DPYD HRH3 3572/4885KCNH2 4712/4885NSD2 285/4885
US-20190092779-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS HRH3 866/4885KCNH2 2093/4885NSD2 2675/4885
US-20200190095-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS HRH3 866/4885KCNH2 2093/4885NSD2 2675/4885
US-10654831-B2 Antiproliferative pyrimidine-based compounds MKI67, TYMS, TYMP HRH3 3844/4885KCNH2 4727/4885NSD2 376/4885
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 HRH3 258/4885KCNH2 1043/4885NSD2 1855/4885
US-20200331925-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ABNORMAL CELLULAR PROLIFERATION MKI67, CCNC, CCNI HRH3 3279/4885KCNH2 4370/4885NSD2 232/4885
US-10647720-B2 Pyrimido-pyridazinone compounds and methods of use thereof THPO, TYMP, TYMS HRH3 866/4885KCNH2 2093/4885NSD2 2675/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR HRH3 3422/4885KCNH2 4542/4885NSD2 2519/4885

“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.