Sugi Predict

Sugi Predict / Compounds / SCHEMBL422210

SCHEMBL422210

SCHEMBL422210

c1ccc2c(-c3ncc4[nH]cnc4n3)n[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ IDO1 P14902 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ ALPL P05186 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TTK P33981 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ LRRK2 Q5S007 2/20 0.44
▸ CDK2 P24941 1/20 0.43
▸ ITK Q08881 4/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ MAP2K4 P45985 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAPKAPK3 Q16644 1/20 0.42
▸ MAPK6 Q16659 1/20 0.42
▸ AURKA O14965 1/20 0.39
▸ GRM4 Q14833 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL4543242 0.80 KDM4E (0.51) KDM4EALDH1A1HPGDCDK2
SCHEMBL28073326 0.77 CDK2 (0.43) KDM4EIDO1ALDH1A1CDK2MAPK1
SCHEMBL30767718 0.75 FGFR1 (0.53) KDM4EIDO1ALDH1A1GAAALPL
SCHEMBL29452971 0.74 ALDH1A1 (0.63) KDM4EALDH1A1GAAHPGDLRRK2
SCHEMBL680856 0.73 CDK2 (0.55) KDM4EALDH1A1GAAHPGDCDK2
Hydrochloric Acid SCHEMBL4456682 0.72 CDK2 (0.54) KDM4EALDH1A1GAAHPGDCDK2
SCHEMBL19402616 0.71 KDM4E (0.49) KDM4EIDO1ALDH1A1GAAALPL
SCHEMBL27636231 0.71 KDM4E (0.47) KDM4EIDO1ALDH1A1GAAALPL
SCHEMBL1287897 0.71 LRRK2 (0.68) KDM4EIDO1ALDH1A1GAAALPL
SCHEMBL4924100 0.70 KDM4E (0.48) KDM4EALDH1A1ALPLCDK2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105810837-A Organic light-emitting device 三星显示有限公司 2016-07-27 — — CN claimed
CN-105777558-A Compound, organic light-emitting device including the same, and flat-panel display 三星显示有限公司 2016-07-20 — — CN claimed
CN-114447241-A Heterocyclic compound, light-emitting device, and electronic device 三星显示有限公司 2022-05-06 — — CN disclosed
CN-103435546-B Process for preparing isoquinoline compounds 菲布罗根有限公司 2016-08-10 — — CN disclosed
CN-105820103-A N-benzoyloxy-substituted benzopyrroline-2-ketones derivative and application thereof 北京韩美药品有限公司 2016-08-03 — — CN disclosed
CN-105810837-A Organic light-emitting device 三星显示有限公司 2016-07-27 — — CN disclosed
CN-105814019-A Urea derivative or pharmacologically acceptable salt thereof 杏林制药株式会社 2016-07-27 — — CN disclosed
CN-105777558-A Compound, organic light-emitting device including the same, and flat-panel display 三星显示有限公司 2016-07-20 — — CN disclosed
CN-104011147-B Novel heterocyclic fluorescent dye and preparation method thereof 巴斯夫欧洲公司 2016-07-06 — — CN disclosed
CN-105732562-A COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE COMPOUND, AND PANEL DISLAY DEVICE COMPRISING THE ORGANIC LIGHT-EMITTING DEVICE 三星显示有限公司 2016-07-06 — — CN disclosed
CN-105732658-A Compound, organic light-emitting device including the same and flat display apparatus 三星显示有限公司 2016-07-06 — — CN disclosed
EP-2408762-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI (FR) 2012-01-25 — — EP disclosed
US-20120010241-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI (FR) 2012-01-12 — — US disclosed
WO-2011027081-A2 NOVEL DERIVATIVES OF 5,6,7,8-TETRAHYDROINDOLIZINE INHIBITING HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2011-03-10 — — WO disclosed
WO-2011004132-A1 NOVEL HSP90-INHIBITING INDOLE DERIVATIVES, COMPOSITIONS CONTAINING SAID DERIVATIVES, AND USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 — — WO disclosed
WO-2010106290-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2010-09-23 — — WO disclosed
CN-101573384-A Antibodies and immunoconjugates and uses therefor GENENTECH INC (US) 2009-11-04 — — CN disclosed
CN-101490087-A Antibodies and immunoconjugates and uses thereof GENENTECH INC (US) 2009-07-22 — — CN disclosed
CN-101437852-A Anti-TAT226 antibodies and immunoconjugates GENENTECH INC (US) 2009-05-20 — — CN disclosed
CN-101384557-A Substituted imidazoline derivatives GRUENENTHAL GMBH (DE) 2009-03-11 — — CN 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 (1 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-20120010241-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 KDM4E 4500/4885IDO1 1789/4885ALDH1A1 2177/4885

“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.