SCHEMBL12677451

SCHEMBL12677451

CC(C)(C)NCC1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 2/20 0.43
GNAI3 P08754 1/20 0.43
GNAI1 P63096 1/20 0.43
ALOX15 P16050 2/20 0.41
TSHR P16473 1/20 0.38
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37
EP300 Q09472 5/20 0.36
KDM1A O60341 3/20 0.35
MAOB P27338 3/20 0.35
MAOA P21397 2/20 0.35
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
CREBBP Q92793 1/20 0.34
PIM1 P11309 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 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
SCHEMBL19100677 0.87 SLC6A1 (0.39) GNAO1GNAI3GNAI1ALOX15KDM1A
SCHEMBL12240738 0.87 SLC6A1 (0.39) GNAO1GNAI3GNAI1ALOX15KDM1A
SCHEMBL14176504 0.83 SAT1 (0.39) ADRB2ADRB1ADRB3JAK2JAK1
SCHEMBL8259142 0.83
SCHEMBL21941036 0.83 GNAO1 (0.41) GNAO1GNAI3GNAI1ALOX15TSHR
SCHEMBL17886846 0.80 KDM1A (0.39) GNAO1GNAI3GNAI1ALOX15EP300
SCHEMBL11967194 0.78 ADH1B (0.39) EPHX1ADRB2ADRB1ADRB3JAK2
SCHEMBL10453705 0.78 ADH1B (0.39) EPHX1ADRB2ADRB1ADRB3JAK2
SCHEMBL13999533 0.78 HPGD (0.37) JAK2JAK1TYK2
SCHEMBL13999478 0.77 SAT1 (0.38) JAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 US disclosed
US-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 US disclosed
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
US-20210300948-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS Frequency Therapeutics, Inc. 2021-09-30 US disclosed
US-11130741-B2 Anti-infective heterocyclic compounds and uses thereof BIOIMICS AB (SE) 2021-09-28 US disclosed
US-11066419-B2 1H-pyrrole-2,5-dione compounds and methods of using same Frequency Therapeutics, Inc. (US) 2021-07-20 US disclosed
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2021-07-01 US disclosed
US-20200316089-A1 1,2-DIHYDRO-3H-PYRAZOL-3-ONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. 2020-10-08 US disclosed
US-20200113901-A1 METHODS OF USING EHMT2 INHIBITORS Epizyme, Inc. 2020-04-16 US disclosed
US-20200054635-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2020-02-20 US disclosed
US-8435980-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2013-05-07 US disclosed
US-20130065883-A1 Triazolo [4, 5- B] Pyridin Derivatives Centro Nacional de Investigaceiones Oncologicas (CNIO) (ES) 2013-03-14 US disclosed
US-8273736-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2012-09-25 US disclosed
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US disclosed
US-7737160-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES INC. (US) 2010-06-15 US disclosed
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-03-18 US disclosed
US-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors NOVARTIS AG 2009-11-05 US disclosed
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-25 US disclosed
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBVIE INC. 2007-07-05 US disclosed
US-7202363-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2007-04-10 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 (15 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-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 GNAO1 2266/4885GNAI3 1584/4885GNAI1 1487/4885
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 GNAO1 1375/4885GNAI3 1654/4885GNAI1 1547/4885
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 GNAO1 3309/4885GNAI3 1546/4885GNAI1 1476/4885
US-20210300948-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS MCL1, PROX1, MKI67 GNAO1 3785/4885GNAI3 3663/4885GNAI1 3517/4885
US-20200316089-A1 1,2-DIHYDRO-3H-PYRAZOL-3-ONE COMPOUNDS AND METHODS OF USING SAME DCX, MCL1, MKI67 GNAO1 2939/4885GNAI3 1537/4885GNAI1 1864/4885
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta PRKCQ, PRKCZ, PRKAR2B GNAO1 1349/4885GNAI3 1099/4885GNAI1 919/4885
US-11130741-B2 Anti-infective heterocyclic compounds and uses thereof ELANE, MPO, NISCH GNAO1 2560/4885GNAI3 1673/4885GNAI1 1259/4885
US-20200054635-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 GNAO1 2266/4885GNAI3 1584/4885GNAI1 1487/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK GNAO1 1822/4885GNAI3 905/4885GNAI1 842/4885
US-20200113901-A1 METHODS OF USING EHMT2 INHIBITORS EHMT2, EHMT1, BHMT GNAO1 1809/4885GNAI3 866/4885GNAI1 1040/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 GNAO1 2266/4885GNAI3 1584/4885GNAI1 1487/4885
US-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK GNAO1 2305/4885GNAI3 1288/4885GNAI1 1278/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK GNAO1 1822/4885GNAI3 905/4885GNAI1 842/4885
US-11066419-B2 1H-pyrrole-2,5-dione compounds and methods of using same MKI67, PROX1, DCX GNAO1 3940/4885GNAI3 3962/4885GNAI1 3651/4885
US-20130065883-A1 Triazolo [4, 5- B] Pyridin Derivatives PIM1, PIM3, PIM2 GNAO1 4147/4885GNAI3 3323/4885GNAI1 3630/4885

“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.