SCHEMBL803102

SCHEMBL803102

CN(C)c1cc(C(C)(C)C)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
EED O75530 1/20 0.37
DYRK1A Q13627 1/20 0.36
KIF11 P52732 2/20 0.36
IMPDH2 P12268 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
ALDH1A1 P00352 6/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 2/20 0.35

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
SCHEMBL19192034 0.84 CYP1A2 (0.41) CYP1A2CYP2C19EEDDYRK1AIMPDH2
SCHEMBL1344896 0.82 NOS3 (0.52) CYP1A2EEDALDH1A1NPSR1HSD17B10
SCHEMBL17403555 0.78 CSNK1D (0.39) CYP1A2CYP2C19KDM4EHTR1DPROKR1
SCHEMBL20987610 0.78 CNR2 (0.33) CYP2C19EEDDYRK1AIMPDH2ADORA2A
SCHEMBL14349559 0.78 HRH3 (0.50) CYP1A2CYP2C19KDM4EADRA2AADRA2B
SCHEMBL12669570 0.77 KIF11 (0.37) CYP1A2CYP2C19KIF11KDM4EADRA2A
SCHEMBL16217424 0.77 JAK3 (0.43) CYP1A2CYP2C19SMN1; SMN2PROKR1CYP2D6
SCHEMBL16217384 0.75 NOS1 (0.36) CYP1A2CYP2C19KDM4EADRA2AADRA2B
SCHEMBL19135622 0.73 CNR2 (0.46)
SCHEMBL14063579 0.73 DYRK1A (0.42) EEDDYRK1AADORA2AADORA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216377-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2024-07-04 US disclosed
US-20240216377-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2024-07-04 US disclosed
US-11819505-B2 Heterocyclylamines as PI3K inhibitors INCYTE CORPORATION (US) 2023-11-21 US disclosed
US-11819505-B2 Heterocyclylamines as PI3K inhibitors INCYTE CORPORATION (US) 2023-11-21 US disclosed
US-20230121440-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE HOLDINGS CORPORATION 2023-04-20 US disclosed
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 US disclosed
US-11214540-B2 Compositions for treating neurodegenerative diseases COGNITION THERAPEUTICS, INC. (US) 2022-01-04 US disclosed
US-20200323858-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2020-10-15 US disclosed
US-20200299234-A1 COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES COGNITION THERAPEUTICS, INC. (US) 2020-09-24 US disclosed
US-10646492-B2 Heterocyclylamines as PI3K inhibitors INCYTE CORPORATION (US) 2020-05-12 US disclosed
US-20150065519-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES LLC 2015-03-05 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8445503-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-20130059835-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2013-03-07 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-09-01 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 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 (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-20230121440-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB CYP1A2 1046/4885CYP2C19 714/4885EED 2213/4885
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E CYP1A2 4224/4885CYP2C19 3895/4885EED 4375/4885
US-20240216377-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB CYP1A2 1046/4885CYP2C19 714/4885EED 2213/4885
US-11819505-B2 Heterocyclylamines as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB CYP1A2 1046/4885CYP2C19 714/4885EED 2213/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E CYP1A2 4247/4885CYP2C19 3859/4885EED 4359/4885
US-20150065519-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRAS, VHL, ESRRB CYP1A2 1796/4885CYP2C19 2589/4885EED 743/4885
US-10646492-B2 Heterocyclylamines as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB CYP1A2 1046/4885CYP2C19 714/4885EED 2213/4885
US-11214540-B2 Compositions for treating neurodegenerative diseases NLN, GAP43, PSEN2 CYP1A2 4878/4885CYP2C19 4884/4885EED 3317/4885
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA CYP1A2 2243/4885CYP2C19 2661/4885EED 4345/4885
US-20200323858-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB CYP1A2 1046/4885CYP2C19 714/4885EED 2213/4885
US-20130059835-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB CYP1A2 1046/4885CYP2C19 714/4885EED 2213/4885
US-20200299234-A1 COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES GAP43, NLN, SNAP29 CYP1A2 4869/4885CYP2C19 4883/4885EED 2897/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 CYP1A2 1988/4885CYP2C19 1477/4885EED 4250/4885

“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.