Sugi Predict

Sugi Predict / Compounds / SCHEMBL473432

SCHEMBL473432

SCHEMBL473432

N[C@H]1CC[C@H](Nc2ncccn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.64
▸ GAA P10253 1/20 0.64
▸ MAPK1 P28482 2/20 0.60
▸ MAPK8 P45983 4/20 0.51
▸ MAPK9 P45984 3/20 0.51
▸ PAK4 O96013 3/20 0.51
▸ CDK7 P50613 3/20 0.51
▸ CCNB2 O95067 2/20 0.51
▸ CDK1 P06493 2/20 0.51
▸ CCNB1 P14635 2/20 0.51
▸ CCNB3 Q8WWL7 2/20 0.51
▸ PAK1 Q13153 2/20 0.51
▸ CDC7 O00311 2/20 0.51
▸ DAPK3 O43293 2/20 0.51
▸ JAK2 O60674 2/20 0.51
▸ PRKD3 O94806 2/20 0.51
▸ MAP4K4 O95819 2/20 0.51
▸ LCK P06239 2/20 0.51
▸ CSF1R P07333 2/20 0.51
▸ RET P07949 2/20 0.51

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
SCHEMBL6508486 1.00 KDM4E (0.64) KDM4EGAAMAPK1MAPK8MAPK9
SCHEMBL15233041 1.00 KDM4E (0.64) KDM4EGAAMAPK1MAPK8MAPK9
Hydrochloric Acid SCHEMBL16041596 0.98 KDM4E (0.62) KDM4EGAAMAPK1MAPK8MAPK9
Bromide SCHEMBL21222478 0.98 KDM4E (0.62) KDM4EGAAMAPK1MAPK8MAPK9
Bromide SCHEMBL21222476 0.98 KDM4E (0.62) KDM4EGAAMAPK1MAPK8MAPK9
SCHEMBL246119 0.89 KDM4E (0.78) KDM4EGAAMAPK1DRD2DRD3
SCHEMBL31456684 0.88 KDM4E (0.55) KDM4EGAAMAPK1MAPK8MAPK9
Hydrochloric Acid SCHEMBL1936751 0.87 KDM4E (0.75) KDM4EGAAMAPK1DRD2DRD3
SCHEMBL29358431 0.86 KDM4E (0.48) KDM4EGAAMAPK1MAPK8MAPK9
SCHEMBL12162873 0.80 KDM4E (0.87) KDM4EGAAMAPK1CCNB2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022111634-A1 HETEROARYLQUINAZOLINE COMPOUNDS AS PROTEIN KINASE INHIBITORS 成都赛璟生物医药科技有限公司 2022-06-02 — — WO disclosed
US-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 — — US disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 — — US disclosed
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 — — WO disclosed
US-8962622-B2 Benzotriazole kinase modulators ROCHE PALO ALTO LLC (US) 2015-02-24 — — US disclosed
US-8962622-B2 Benzotriazole kinase modulators ROCHE PALO ALTO LLC (US) 2015-02-24 — — US disclosed
US-8962622-B2 Benzotriazole kinase modulators ROCHE PALO ALTO LLC (US) 2015-02-24 — — US disclosed
US-8791257-B2 Substituted pyrrolotriazines as protein kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-29 — — US disclosed
US-8791257-B2 Substituted pyrrolotriazines as protein kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-29 — — US disclosed
US-8791257-B2 Substituted pyrrolotriazines as protein kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-29 — — US disclosed
US-20110224212-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2011-09-15 — — US disclosed
US-20100261665-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2010-10-14 — — US disclosed
US-20100261665-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2010-10-14 — — US disclosed
US-7683057-B2 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) TYROGENEX, INC. (US) 2010-03-23 — — US disclosed
US-7683057-B2 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) TYROGENEX, INC. (US) 2010-03-23 — — US disclosed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 — — US disclosed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 — — US disclosed
US-20080103142-A1 Benzotriazole kinase modulators ROCHE PALO ALTO LLC 2008-05-01 — — US disclosed
US-20080103142-A1 Benzotriazole kinase modulators ROCHE PALO ALTO LLC 2008-05-01 — — US disclosed
US-20080103142-A1 Benzotriazole kinase modulators ROCHE PALO ALTO LLC 2008-05-01 — — 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 (6 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-20090076005-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 KDM4E 1241/4885GAA 694/4885MAPK1 58/4885
US-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors HPGDS, PTGDR, PTGER1 KDM4E 2350/4885GAA 568/4885MAPK1 2082/4885
US-20100261665-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 KDM4E 1241/4885GAA 694/4885MAPK1 58/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 KDM4E 2350/4885GAA 568/4885MAPK1 2082/4885
US-20110224212-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 KDM4E 1241/4885GAA 694/4885MAPK1 58/4885
US-20080103142-A1 Benzotriazole kinase modulators CDK1, CDK3, MAPK1 KDM4E 1386/4885GAA 4009/4885MAPK1 3/4885

“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.