SCHEMBL13119830

SCHEMBL13119830

CC(C)c1cn(-c2ccccc2)nn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.50
NOTUM Q6P988 2/20 0.49
MAOA P21397 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GLA P06280 1/20 0.44
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
CD74 P04233 1/20 0.41
MIF P14174 1/20 0.41
ESRRA P11474 6/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL9634370 0.85 NOTUM (0.50) P2RX7NOTUMMAOAL3MBTL1GLA
SCHEMBL27711742 0.85 P2RX7 (0.47) P2RX7NOTUMMAOAL3MBTL1GLA
SCHEMBL24785696 0.85 P2RX7 (0.47) P2RX7NOTUMMAOAL3MBTL1GLA
SCHEMBL13160180 0.83 NOTUM (0.51) NOTUMESRRA
SCHEMBL13183607 0.83 NOTUM (0.53) NOTUMESRRAPTGS1PTGS2
SCHEMBL19589440 0.83 MAOA (0.50) NOTUMMAOAESRRA
SCHEMBL23008630 0.82 CYP1B1 (0.37) NOTUM
SCHEMBL9729936 0.81 FLT3 (0.46) NOTUMMIFESRRAPTGS1PTGS2
SCHEMBL25868678 0.81 RXRA (0.50) L3MBTL1ESRRAALDH1A1
SCHEMBL25820296 0.81 RXRA (0.58) ESRRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023205206-A1 LINCOSAMIDES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-10-26 WO disclosed
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-02-21 US disclosed
US-20220402926-A1 NOVEL MACROCYCLIC SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-12-22 US disclosed
US-11325905-B2 Imidopiperidine compounds as inhibitors of human polynucleotide kinase phosphatase THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-05-10 US disclosed
US-11058676-B2 Quinolinone lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2021-07-13 US disclosed
US-10981875-B2 Quinolone-based compounds with anticancer activity REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2021-04-20 US disclosed
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-18 US disclosed
US-20200148675-A1 IMIDOPIPERIDINE COMPOUNDS AS INHIBITORS OF HUMAN POLYNUCLEOTIDE KINASE PHOSPHATASE THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2020-05-14 US disclosed
US-10588900-B2 Quinolinone lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2020-03-17 US disclosed
US-20200071273-A1 QUINOLONE-BASED COMPOUNDS WITH ANTICANCER ACTIVITY UNIVERSITY OF IOWA RESEARCH FOUNDATION 2020-03-05 US disclosed
US-9284350-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2016-03-15 US disclosed
US-20160072081-A1 Transition metal complexes with carbene ligands and the use thereof in OLEDs BASF SE (DE) 2016-03-10 US disclosed
US-20160072081-A1 Transition metal complexes with carbene ligands and the use thereof in OLEDs BASF SE (DE) 2016-03-10 US disclosed
US-8987268-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 US disclosed
WO-2015007613-A1 O-ALKYL TRIAZOLYL CARBAMATES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-01-22 WO disclosed
WO-2014177518-A1 TRANSITION METAL COMPLEXES WITH CARBENE LIGANDS AND THE USE THEREOF IN OLEDS BASF SE (DE) 2014-11-06 WO disclosed
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 US disclosed
US-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-02-14 US disclosed
US-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-02-14 US disclosed
US-7807684-B2 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-05 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 (12 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-11325905-B2 Imidopiperidine compounds as inhibitors of human polynucleotide kinase phosphatase PNKP, PPM1A, PPM1B P2RX7 2608/4885NOTUM 3315/4885MAOA 3566/4885
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists P2RY14, P2RY1, P2RY13 P2RX7 5/4885NOTUM 4148/4885MAOA 2677/4885
US-20220402926-A1 NOVEL MACROCYCLIC SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 P2RX7 3923/4885NOTUM 807/4885MAOA 4080/4885
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS P2RY14, P2RY1, P2RY13 P2RX7 5/4885NOTUM 4148/4885MAOA 2677/4885
US-20200148675-A1 IMIDOPIPERIDINE COMPOUNDS AS INHIBITORS OF HUMAN POLYNUCLEOTIDE KINASE PHOSPHATASE PNKP, PPM1A, PPM1B P2RX7 2608/4885NOTUM 3315/4885MAOA 3566/4885
US-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 P2RX7 4451/4885NOTUM 4663/4885MAOA 4390/4885
US-11058676-B2 Quinolinone lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX P2RX7 2336/4885NOTUM 711/4885MAOA 69/4885
US-20200071273-A1 QUINOLONE-BASED COMPOUNDS WITH ANTICANCER ACTIVITY TOP2A, TOP2B, TOP1 P2RX7 3257/4885NOTUM 3217/4885MAOA 2425/4885
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES JAK3, JAK1, JAK2 P2RX7 1235/4885NOTUM 3099/4885MAOA 3420/4885
US-20160072081-A1 Transition metal complexes with carbene ligands and the use thereof in OLEDs OCIAD1, OCIAD2, TRPM6 P2RX7 3343/4885NOTUM 2349/4885MAOA 1157/4885
US-10981875-B2 Quinolone-based compounds with anticancer activity TOP2A, TOP2B, TOP1 P2RX7 3257/4885NOTUM 3217/4885MAOA 2425/4885
US-10588900-B2 Quinolinone lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX P2RX7 2336/4885NOTUM 711/4885MAOA 69/4885

“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.