Sugi Predict

Sugi Predict / Compounds / SCHEMBL5198300

SCHEMBL5198300

SCHEMBL5198300

CN1CCN(NC(N)=O)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.59
▸ CA2 P00918 2/20 0.59
▸ CA9 Q16790 2/20 0.59
▸ CA1 P00915 1/20 0.48
▸ CYP2D6 P10635 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ LIPE Q05469 1/20 0.42
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL337968 0.87 — —
SCHEMBL4778404 0.87 CA2 (0.41) CA12CA2CA9CA1CYP2D6
SCHEMBL30987846 0.80 CA12 (0.64) CA12CA2CA9CA1CYP2D6
SCHEMBL10155509 0.78 CA12 (0.61) CA12CA2CA9CA1CYP2D6
SCHEMBL9129433 0.78 CA12 (0.61) CA12CA2CA9CA1CYP2D6
SCHEMBL1259613 0.77 — —
SCHEMBL244127 0.77 — —
SCHEMBL8406879 0.76 CA12 (0.59) CA12CA2CA9CA1CYP2D6
SCHEMBL3024860 0.76 CA12 (0.59) CA12CA2CA9CA1CYP2D6
SCHEMBL5198294 0.76 CA12 (0.59) CA12CA2CA9CA1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105832740-B Aryl amine purine derivative and preparation method thereof and purposes in medicine 石药集团中奇制药技术（石家庄）有限公司 2019-02-12 — — CN claimed
CN-105832740-A Aromatic amino purine derivative as well as preparation method and pharmaceutical application thereof 石药集团中奇制药技术（石家庄）有限公司 2016-08-10 — — CN claimed
CN-103003278-B Arylamino purine derivatives, preparation method and medical application thereof CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) Co.,Ltd. (CN) 2016-03-30 — — CN claimed
EP-2578584-A1 ARYLAMINO PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF Si Chuan University (CN) 2013-04-10 — — EP claimed
CN-102260263-A Diphenylamine purine derivatives, and preparation method and medicinal application thereof — 2011-11-30 — — CN claimed
CN-101684084-A Tetracycline compounds containing carbamido SHANDONG XUANZHU MEDICINE TECH 2010-03-31 — — CN claimed
US-20070275968-A1 Substituted Biphenyl Derivative SANKYO COMPANY, LIMITED (JP) 2007-11-29 — — US claimed
EP-1798229-A1 SUBSTITUTED BIPHENYL DERIVATIVE Sankyo Company, Limited (JP) 2007-06-20 — — EP claimed
US-20240034799-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS CEDARS SINAI MEDICAL CENTER (US) 2024-02-01 — — US disclosed
US-20230279491-A1 TREATMENTS FOR A SUB-POPULATION OF INFLAMMATORY BOWEL DISEASE PATIENTS CEDARS-SINAI MEDICAL CENTER 2023-09-07 — — US disclosed
US-11142543-B2 Antidepressant compound and preparation method and application thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2021-10-12 — — US disclosed
US-20200385418-A1 ANTIDEPRESSANT COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-12-10 — — US disclosed
EP-2578584-B1 ARYLAMINO PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF SI CHUAN UNIV (CN) 2020-08-12 — — EP disclosed
EP-3564253-A1 ANTIDEPRESSANT COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2019-11-06 — — EP disclosed
EP-2578584-A1 ARYLAMINO PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF Si Chuan University (CN) 2013-04-10 — — EP disclosed
WO-2011147066-A1 ARYLAMINO PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 四川大学 (CN) 2011-12-01 — — WO disclosed
CN-102260263-A Diphenylamine purine derivatives, and preparation method and medicinal application thereof — 2011-11-30 — — CN disclosed
CN-101684084-A Tetracycline compounds containing carbamido SHANDONG XUANZHU MEDICINE TECH 2010-03-31 — — CN disclosed
US-20070275968-A1 Substituted Biphenyl Derivative SANKYO COMPANY, LIMITED (JP) 2007-11-29 — — US disclosed
EP-1798229-A1 SUBSTITUTED BIPHENYL DERIVATIVE Sankyo Company, Limited (JP) 2007-06-20 — — EP 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 (3 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-11142543-B2 Antidepressant compound and preparation method and application thereof TPH1, BDNF, CRH CA12 3260/4885CA2 3557/4885CA9 3851/4885
US-20200385418-A1 ANTIDEPRESSANT COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF TPH1, BDNF, CRH CA12 3260/4885CA2 3557/4885CA9 3851/4885
US-20070275968-A1 Substituted Biphenyl Derivative COL2A1, COL1A1, FGFR3 CA12 1900/4885CA2 236/4885CA9 1446/4885

“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.