SCHEMBL19629639

SCHEMBL19629639

CC(C)Cc1ccc2[nH]cnc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK14 Q16539 1/20 0.35
POLA1 P09884 1/20 0.35
CTSA P10619 2/20 0.35
CDK2 P24941 6/20 0.35
CDK1 P06493 5/20 0.35
CCNB1 P14635 4/20 0.35
CCNA2 P20248 4/20 0.35
CCNA1 P78396 4/20 0.35
PDE2A O00408 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
MAPK1 P28482 2/20 0.31
TSHR P16473 1/20 0.31
TP53 P04637 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
SCHEMBL23554436 0.82 ALDH1A1 (0.41) KDM4EALDH1A1MAPK14POLA1CTSA
SCHEMBL25984073 0.79 POLA1 (0.43) KDM4EALDH1A1MAPK14POLA1CTSA
SCHEMBL18937619 0.76 ALDH1A1 (0.37) KDM4EALDH1A1MAPK14POLA1CTSA
SCHEMBL26199736 0.76 ALDH1A1 (0.37) KDM4EALDH1A1MAPK14POLA1CTSA
SCHEMBL14032681 0.73 ALDH1A1 (0.40) KDM4EALDH1A1MAPK14POLA1CTSA
SCHEMBL30020945 0.72 ALDH1A1 (0.49) KDM4EALDH1A1POLA1CDK2CDK1
SCHEMBL19346314 0.72 HTT (0.36) KDM4EALDH1A1CDK1NOS3NOS1
SCHEMBL20798988 0.70 ELANE (0.37) KDM4ECDK2CDK1NOS3NOS1
SCHEMBL10441591 0.70 ALDH1A1 (0.39) KDM4EALDH1A1MAPK14POLA1CTSA
SCHEMBL14930380 0.70 ALDH1A1 (0.44) KDM4EALDH1A1MAPK14POLA1CTSA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310390-A1 INHIBITORS OF SHORT-CHAIN DEHYDROGENASE ACTIVITY FOR TREATING NEURODEGENERATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-10-05 US disclosed
EP-4252755-A2 THERAPEUTIC COMPOUNDS C4x Discovery Limited (GB) 2023-10-04 EP disclosed
EP-3870578-B1 THERAPEUTIC COMPOUNDS C4X DISCOVERY LTD (GB) 2023-08-16 EP disclosed
US-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2023-05-25 US disclosed
US-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2023-05-25 US disclosed
US-20220002286-A1 THERAPEUTIC COMPOUNDS C4X DISCOVERY LIMITED (GB) 2022-01-06 US disclosed
WO-2021214472-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2021-10-28 WO disclosed
US-10301280-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-05-28 US disclosed
US-10000477-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2018-06-19 US disclosed
US-20170349572-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-12-07 US disclosed
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2017-11-23 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 (7 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-20230310390-A1 INHIBITORS OF SHORT-CHAIN DEHYDROGENASE ACTIVITY FOR TREATING NEURODEGENERATION GCDH, HPGD, HAGH KDM4E 3208/4885ALDH1A1 86/4885MAPK14 2253/4885
US-10000477-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 KDM4E 3324/4885ALDH1A1 1368/4885MAPK14 2923/4885
US-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 KDM4E 2935/4885ALDH1A1 773/4885MAPK14 1353/4885
US-20220002286-A1 THERAPEUTIC COMPOUNDS NFE2L2, KEAP1, NQO1 KDM4E 3963/4885ALDH1A1 307/4885MAPK14 2113/4885
US-10301280-B2 Compounds and methods for kinase modulation, and indications therefor KIT, PRKCH, PRKACA KDM4E 1090/4885ALDH1A1 2054/4885MAPK14 169/4885
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 KDM4E 3324/4885ALDH1A1 1368/4885MAPK14 2923/4885
US-20170349572-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA KDM4E 1090/4885ALDH1A1 2054/4885MAPK14 169/4885

“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.