Sugi Predict

Sugi Predict / Compounds / SCHEMBL15907665

SCHEMBL15907665

SCHEMBL15907665

CCc1cnc(N)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ NOS3 P29474 3/20 0.39
▸ NOS1 P29475 3/20 0.39
▸ NOS2 P35228 3/20 0.39
▸ PARP1 P09874 1/20 0.35
▸ KCNH2 Q12809 2/20 0.34
▸ HRH4 Q9H3N8 2/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ VCP P55072 1/20 0.34
▸ DHFR P00374 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HRH2 P25021 1/20 0.32
▸ HRH1 P35367 1/20 0.32

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
SCHEMBL29879664 1.00 HTT (0.54) HTTKMT2ANOS3NOS1NOS2
SCHEMBL18235103 0.79 NOS3 (0.39) HTTKMT2ANOS3NOS1NOS2
SCHEMBL29879799 0.79 HTT (0.54) HTTKMT2A
SCHEMBL2060171 0.79 HTT (0.54) HTTKMT2A
SCHEMBL31358524 0.79 HTT (0.48) HTTKMT2ANOS3NOS1NOS2
SCHEMBL10399428 0.78 NOS3 (0.42) NOS3NOS1NOS2PARP1KCNH2
SCHEMBL25467228 0.77 DHFR (0.45) NOS3NOS1NOS2PARP1VCP
SCHEMBL16421188 0.77 PARP1 (0.33) HTTNOS3NOS1NOS2PARP1
SCHEMBL10268101 0.77 NOS3 (0.56) NOS3NOS1NOS2PARP1VCP
SCHEMBL28051797 0.76 HTT (0.46) HTTKMT2AHRH3

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4585265-A2 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2025-07-16 — — EP disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 — — US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 — — US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 — — US disclosed
EP-4308230-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 — — CN disclosed
US-20220370440-A1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER LEAD DISCOVERY CENTER GMBH (DE) 2022-11-24 — — US disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
EP-3807274-B1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER LEAD DISCOVERY CENTER GMBH (DE) 2022-07-27 — — EP disclosed
EP-3807274-A1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER Lead Discovery Center GmbH (DE) 2021-04-21 — — EP disclosed
CN-112585138-A 4-substituted pyrrolo [2,3-b ] pyridines as ErbB modulators useful in the treatment of cancer 利德探索中心有限公司 2021-03-30 — — CN disclosed
US-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 — — US disclosed
WO-2020039060-A1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER LEAD DISCOVERY CENTER GMBH (DE) 2020-02-27 — — WO disclosed
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-08-01 — — US disclosed
US-20170349572-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-12-07 — — US disclosed
US-9676748-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-06-13 — — US disclosed
US-20140213554-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-07-31 — — 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-20140213554-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA HTT 2877/4885KMT2A 603/4885NOS3 3190/4885
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 HTT 4156/4885KMT2A 1222/4885NOS3 2141/4885
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND KAT2A, KAT7, KAT5 HTT 1286/4885KMT2A 91/4885NOS3 2203/4885
US-20220370440-A1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER ERBB2, ERBB4, ERBB3 HTT 4159/4885KMT2A 2759/4885NOS3 2963/4885
US-10793582-B2 Bicyclic heterocyclic compound KAT2A, KAT7, KAT5 HTT 798/4885KMT2A 80/4885NOS3 1882/4885
US-20170349572-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA HTT 2877/4885KMT2A 603/4885NOS3 3190/4885

“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.