Sugi Predict

Sugi Predict / Compounds / SCHEMBL5523952

SCHEMBL5523952

SCHEMBL5523952

O=C(O)NNc1ccccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 11/20 0.65
▸ NPC1 O15118 5/20 0.57
▸ RAB9A P51151 5/20 0.57
▸ PKM P14618 2/20 0.57
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ P2RX7 Q99572 1/20 0.54
▸ KMT2A Q03164 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ ADORA3 P0DMS8 1/20 0.53
▸ PIM1 P11309 1/20 0.53
▸ ADORA2A P29274 1/20 0.53
▸ ADORA2B P29275 1/20 0.53
▸ ADORA1 P30542 1/20 0.53
▸ FLT3 P36888 1/20 0.53
▸ PIM3 Q86V86 1/20 0.53
▸ AURKB Q96GD4 1/20 0.53
▸ KDM4E B2RXH2 6/20 0.52
▸ LMNA P02545 3/20 0.52
▸ HTT P42858 3/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52

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
SCHEMBL13385745 0.83 GAA (0.66) GAANPC1RAB9APKMSMN1; SMN2
SCHEMBL10383050 0.82 GAA (0.58) GAANPC1RAB9APKMSMN1; SMN2
SCHEMBL29076327 0.82 GAA (0.58) GAANPC1RAB9APKMSMN1; SMN2
SCHEMBL5453254 0.82 GAA (0.58) GAANPC1RAB9APKMSMN1; SMN2
SCHEMBL9461298 0.80 RAB9A (0.73) GAANPC1RAB9APKMSMN1; SMN2
SCHEMBL23388826 0.79 SMN1; SMN2 (0.61) GAANPC1RAB9APKMSMN1; SMN2
SCHEMBL10989725 0.79 GAA (0.55) GAANPC1RAB9APKMSMN1; SMN2
SCHEMBL29995352 0.79 SMN1; SMN2 (0.61) GAANPC1RAB9APKMSMN1; SMN2
SCHEMBL27668109 0.79 GAA (0.55) GAANPC1RAB9APKMSMN1; SMN2
SCHEMBL519066 0.79 RAB9A (0.73) GAANPC1RAB9APKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459187-B Janus Kinase Inhibiting Compounds and Methods HOFFMANN LA ROCHE 2015-06-17 — — CN claimed
CN-103097352-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2013-05-08 — — CN claimed
US-5411967-A Antiinflammatory, immunosuppressant, antitumor AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-02 — — US claimed
CN-106008466-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维公司 2018-12-14 — — CN disclosed
CN-105392788-B Substituted bridging urea analog as Sirtuin conditioning agent 葛兰素史密斯克莱有限责任公司 2018-10-23 — — CN disclosed
CN-107207496-A Substituted bridged ring urea analogs as sirtuin modulators 葛兰素史密斯克莱有限责任公司 2017-09-26 — — CN disclosed
CN-107207520-A Substituted bridged ring urea analogs as sirtuin modulators 葛兰素史密斯克莱知识产权（第2 号）有限公司 2017-09-26 — — CN disclosed
CN-107074801-A Aryl and arylalkyl substituted pyrazolyl and pyrimidinyl tricyclenones as antioxidant inflammatory modulators 里亚塔医药公司 2017-08-18 — — CN disclosed
US-9527744-B2 Method for manufacturing reduced graphene oxide using solid hydrazine derivative Sogang University Research Foundation (KR) 2016-12-27 — — US disclosed
US-9469603-B2 Reaction product of hydrazine derivatives and carbon dioxide Sogang University Research Foundation (KR) 2016-10-18 — — US disclosed
CN-105683196-A Aryl ether based kinase inhibitors 百时美施贵宝公司 2016-06-15 — — CN disclosed
US-6593356-B2 The present invention relates to the synthesis of a new class of indeno(1,2-c)pyrazol-4-ones of formula (I): that are potent inhibitors of the class of enzymes known as cyclin dependent kinases, which relate to the catalytic subunits cdk1-7 and the BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-15 — — US disclosed
US-20030073686-A1 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-17 — — US disclosed
WO-2003007883-A2 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-01-30 — — WO disclosed
WO-2002034721-A1 ACYLSEMICARBAZIDES AND THEIR USE AS CYCLIN DEPENDENT KINASE (CDK) INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-05-02 — — WO disclosed
US-6291504-B1 POTENT INHIBITORS OF THE CLASS OF ENZYMES KNOWN AS CYCLIN DEPENDENT KINASES DUPONT PHARMACEUTICALS COMPANY 2001-09-18 — — US disclosed
CN-1050839-C Novel sulfonylamino pyrimidines HOFFMANN LA ROCHE (CH) 2000-03-29 — — CN disclosed
CN-1202152-A Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency HOFFMANN LA ROCHE (CH) 1998-12-16 — — CN disclosed
CN-1106007-A Novel sulfonylamino pyrimidines HOFFMANN LA ROCHE (CH) 1995-08-02 — — CN disclosed
US-5411967-A Antiinflammatory, immunosuppressant, antitumor AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-02 — — 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 (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-20030073686-A1 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents CDK1, CCNA1, CDK17 GAA 1553/4885NPC1 3260/4885RAB9A 4127/4885

“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.