Sugi Predict

Sugi Predict / Compounds / SCHEMBL5049519

SCHEMBL5049519

SCHEMBL5049519

Cn1cc(-c2ccc(Br)cc2)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.42
▸ RAB9A P51151 8/20 0.42
▸ APP P05067 2/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37

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
SCHEMBL9143504 0.82 KDR (0.50) NPC1RAB9APAX8KDM4EALDH1A1
SCHEMBL28367077 0.80 GSK3B (0.36) KDM4EWNT1GSK3BDYRK1ABRD4
SCHEMBL28298649 0.80 HSD17B1 (0.50) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL15426810 0.80 KEAP1 (0.55) NPC1RAB9AAPPKDM4EALDH1A1
SCHEMBL26098876 0.80 PTGS2 (0.49) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL28862432 0.80 KDR (0.49) NPC1RAB9APAX8KDM4EALDH1A1
SCHEMBL2682667 0.80 PTGS2 (0.49) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL14446422 0.80 KDR (0.52) NPC1RAB9AALDH1A1KMT2ABRD4
SCHEMBL17201333 0.79 EPHB4 (0.43) NPC1RAB9AMEN1KMT2ABRD4
SCHEMBL2687071 0.79 KMT2A (0.52) NPC1RAB9AKMT2ABRD4KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1921072-A1 1,2,3-Triazole derivatives as cannabinoid-receptor modulators Laboratorios del Dr. Esteve S.A. (ES) 2008-05-14 — — EP claimed
EP-4539840-A1 KINASE MODULATORS AND METHODS OF USE THEREOF Neuron23, Inc. (US) 2025-04-23 — — EP disclosed
CN-119730846-A Kinase modulators and methods of use thereof 神经元23公司 2025-03-28 — — CN disclosed
WO-2023244788-A9 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-09-12 — — WO disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 — — US disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 — — US disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 — — US disclosed
WO-2023244788-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2023-12-21 — — WO disclosed
US-20220177459-A1 AROMATIC AMINE COMPOUND AND USE THEREOF IN PREPARATION OF AR AND BRD4 DUAL INHIBITORS AND REGULATORS HINOVA PHARMACEUTICALS INC. (CN) 2022-06-09 — — US disclosed
EP-3950678-A1 AROMATIC AMINE COMPOUND AND USE THEREOF IN PREPARATION OF AR AND BRD4 DUAL INHIBITORS AND REGULATORS Hinova Pharmaceuticals Inc. (CN) 2022-02-09 — — EP disclosed
CN-107001322-A (S) -N- (3- (6-isopropoxypyridin-3-yl) -1H-indazol-5-yl) -1- (2- (4- (4- (1-methyl-1H-1, 2, 4-triazol-3-yl) phenyl) -3, 6-dihydropyridin-1 (2H) -yl) -2-oxoethyl) -3- (methylthio) pyrrolidine-3-carboxamide compositions for use in pharmaceutical formulations 默沙东公司 2017-08-01 — — CN disclosed
WO-2016161160-A1 SPIROCYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. (US) 2016-10-06 — — WO disclosed
WO-2016161160-A1 SPIROCYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. (US) 2016-10-06 — — WO disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 — — US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 — — US disclosed
EP-1921072-A1 1,2,3-Triazole derivatives as cannabinoid-receptor modulators Laboratorios del Dr. Esteve S.A. (ES) 2008-05-14 — — EP disclosed
EP-0533268-B1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LTD (GB) 2001-08-16 — — EP disclosed
US-5510350-A USEFUL IN TREATMENT OR PROPHYLAXIS OF DEPRESSION AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS GLAXO GROUP LIMITED (GB) 1996-04-23 — — US disclosed
US-5340810-A Useful in the treatment and prophylaxis of depression and other disorders of the central nervous system GLAXO GROUP LIMITED (GB) 1994-08-23 — — US disclosed
EP-0533268-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 — — 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 NPC1 383/4885RAB9A 2005/4885APP 2529/4885
US-20220177459-A1 AROMATIC AMINE COMPOUND AND USE THEREOF IN PREPARATION OF AR AND BRD4 DUAL INHIBITORS AND REGULATORS AR, BRD4, BICRA NPC1 3316/4885RAB9A 2500/4885APP 1436/4885
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, JAK1, JAK3 NPC1 4600/4885RAB9A 3465/4885APP 4374/4885

“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.