SCHEMBL10496105

SCHEMBL10496105

CCC(C)c1ccnc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.45
ALDH1A1 P00352 4/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 2/20 0.42
USP2 O75604 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC4 P56524 2/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
DYRK1A Q13627 1/20 0.34
KCNQ2 O43526 1/20 0.34
RAB9A P51151 2/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL18672391 0.85 UHRF1 (0.42) UHRF1HDAC4LMNADYRK1AKCNQ2
SCHEMBL25474417 0.82 UHRF1 (0.43) UHRF1HDAC4DYRK1AKCNQ2PSEN1
SCHEMBL18794707 0.82 UHRF1 (0.43) UHRF1HDAC4DYRK1AKCNQ2PSEN1
SCHEMBL6560416 0.82 ALDH1A1 (0.43) ALDH1A1GAAHPGDUSP2PKM
SCHEMBL12299268 0.82 UHRF1 (0.46) UHRF1HDAC4HDAC8DYRK1AKCNQ2
SCHEMBL22298879 0.80 UHRF1 (0.38) UHRF1HPGDPSEN1PSEN2APH1B
SCHEMBL18879378 0.79 KDM4E (0.38) UHRF1HPGDPSEN1PSEN2APH1B
SCHEMBL30490644 0.79 UHRF1 (0.52) UHRF1ALDH1A1GAAHDAC4LMNA
SCHEMBL84469 0.79 UHRF1 (0.52) UHRF1ALDH1A1GAAHDAC4LMNA
SCHEMBL3465311 0.78 UHRF1 (0.43) UHRF1DYRK1APSEN1PSEN2APH1B

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-20220388964-A1 (AZA)INDAZOLYL-ARYL SULFONAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS HIBERCELL, INC. 2022-12-08 US disclosed
EP-4059932-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2022-09-21 EP disclosed
EP-3354650-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2022-02-16 EP disclosed
US-10640510-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2020-05-05 US disclosed
US-20200048267-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2020-02-13 US disclosed
US-20190135815-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-05-09 US disclosed
EP-3354650-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2018-08-01 EP disclosed
US-9738644-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2017-08-22 US disclosed
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-7666864-B2 Bicyclic nitroimidazole-substituted phenyl oxazolidinones GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2010-02-23 US disclosed
US-4871848-A OIL, GAS WELLS CORROSION INHIBITORS THE DOW CHEMICAL COMPANY (US) 1989-10-03 US disclosed
US-4740320-A REACTION OF NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPONENT, KETONE OR ALDEHYDE, AMINE OR POLYAMINE THE DOW CHEMICAL COMPANY (US) 1988-04-26 US disclosed
US-4725373-A CORROSION RESISTANCE FOR METAL TOOLS AND EQUIPMENT USED IN OIL AND GAS WELLS THE DOW CHEMICAL COMPANY (US) 1988-02-16 US disclosed
US-4724003-A Asphalt compositions containing anti-stripping additives prepared from hydrocarbyl substituted nitrogen-containing aromatic heterocyclic compounds, aldehydes or ketones and amines THE DOW CHEMICAL COMPANY (US) 1988-02-09 US disclosed
US-4676834-A Novel compositions prepared from methyl substituted nitrogen-containing aromatic heterocyclic compounds and an aldehyde or ketone THE DOW CHEMICAL COMPANY (US) 1987-06-30 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 (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-20200048267-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN UHRF1 876/4885ALDH1A1 3839/4885GAA 15/4885
US-20190135815-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 UHRF1 4153/4885ALDH1A1 2952/4885GAA 2198/4885
US-10640510-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof GRM5, GRIK5, GRM2 UHRF1 4153/4885ALDH1A1 2952/4885GAA 2198/4885
US-20220388964-A1 (AZA)INDAZOLYL-ARYL SULFONAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS EIF2AK4, GCN1, GNAI2 UHRF1 2773/4885ALDH1A1 1814/4885GAA 139/4885

“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.