Sugi Predict

Sugi Predict / Compounds / SCHEMBL15230652

SCHEMBL15230652

SCHEMBL15230652

Cc1nn(C)c(C(N)=O)c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ IKBKB O14920 1/20 0.43
▸ IKBKE Q14164 1/20 0.43
▸ PIM3 Q86V86 2/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ LTK P29376 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ MAP2K2 P36507 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ CSNK1A1 P48729 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ CLK2 P49760 1/20 0.40

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
SCHEMBL1359424 0.82 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1LMNAKDM4EGAA
SCHEMBL25970279 0.82 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1LMNAKDM4EGAA
SCHEMBL9151554 0.80 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1LMNAKDM4EGAA
Hydrochloric Acid SCHEMBL9151563 0.80 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1LMNAKDM4EGAA
SCHEMBL4166587 0.79 KDM4E (0.46) SMN1; SMN2L3MBTL1LMNAKDM4EGAA
SCHEMBL25759724 0.78 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1LMNAKDM4EGAA
SCHEMBL1095 0.78 PIM3 (0.49) SMN1; SMN2L3MBTL1LMNAKDM4EGAA
Hydrochloric Acid SCHEMBL28348295 0.78 KDM4E (0.44) SMN1; SMN2L3MBTL1LMNAKDM4EGAA
SCHEMBL9410482 0.76 KDM4E (0.66) SMN1; SMN2LMNAKDM4EGAARAB9A
Hydrochloric Acid SCHEMBL10919018 0.76 PIM3 (0.47) SMN1; SMN2LMNAKDM4EGAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113292496-B Synthetic method of Laratinib intermediate 安徽联创生物医药股份有限公司 2023-03-10 — — CN claimed
CN-113336703-B Synthesis of 1,3,4, 5-tetrasubstituted 1H-pyrazole derivatives 西华大学 2023-05-12 — — CN disclosed
CN-113292496-B Synthetic method of Laratinib intermediate 安徽联创生物医药股份有限公司 2023-03-10 — — CN disclosed
CN-114716378-A Synthesis method of 1,3, 4-trisubstituted-5-cyanopyrazole derivative 西华大学 2022-07-08 — — CN disclosed
CN-111362967-B Benzoxadiazatetetradecene derivatives and use thereof 南京雷正医药科技有限公司 2021-09-07 — — CN disclosed
CN-113336703-A Synthesis of 1,3,4, 5-tetrasubstituted 1H-pyrazole derivatives 西华大学 2021-09-03 — — CN disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US disclosed
CN-111362967-A Benzoxadiazatetetradecene derivatives and use thereof 南京雷正医药科技有限公司 2020-07-03 — — CN disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 — — US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 — — US disclosed
US-9434743-B2 Indazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-06 — — US disclosed
US-9434743-B2 Indazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-06 — — US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 — — US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 — — US disclosed
US-20150005232-A1 INDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2015-01-01 — — US disclosed
US-20150005232-A1 INDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2015-01-01 — — US disclosed
US-20150005232-A1 INDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2015-01-01 — — US disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 — — WO disclosed
WO-2013130855-A1 INDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-09-06 — — WO disclosed
WO-2013130855-A1 INDAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-09-06 — — WO 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK SMN1; SMN2 882/4885L3MBTL1 457/4885LMNA 3015/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK SMN1; SMN2 835/4885L3MBTL1 505/4885LMNA 3243/4885
US-20150005232-A1 INDAZOLE DERIVATIVES GPR119, INSR, INSRR SMN1; SMN2 1621/4885L3MBTL1 1844/4885LMNA 4402/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK SMN1; SMN2 882/4885L3MBTL1 457/4885LMNA 3015/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK SMN1; SMN2 986/4885L3MBTL1 485/4885LMNA 3115/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK SMN1; SMN2 986/4885L3MBTL1 485/4885LMNA 3115/4885

“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.