SCHEMBL231077

SCHEMBL231077

N#Cc1ccc(N2CCNCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
TP53 P04637 1/20 0.63
DRD2 P14416 1/20 0.62
DRD3 P35462 1/20 0.62
ADRB1 P08588 5/20 0.59
HTR3E A5X5Y0 3/20 0.59
HTR3B O95264 3/20 0.59
HTR3A P46098 3/20 0.59
HTR3D Q70Z44 3/20 0.59
HTR3C Q8WXA8 3/20 0.59
SIGMAR1 Q99720 3/20 0.59
ADRB2 P07550 1/20 0.53
NCF1 P14598 1/20 0.53
PLD1 Q13393 1/20 0.53
CHRNA10 Q9GZZ6 1/20 0.53
CHRNA9 Q9UGM1 1/20 0.53
MAPKAPK2 P49137 4/20 0.52
EGLN2 Q96KS0 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL6956744 1.00 KDM4E (0.63) KDM4ETP53DRD2DRD3ADRB1
Hydrochloric Acid SCHEMBL23303443 0.98 KDM4E (0.61) KDM4ETP53DRD2DRD3ADRB1
Hydrochloric Acid SCHEMBL376202 0.98 KDM4E (0.61) KDM4ETP53DRD2DRD3ADRB1
SCHEMBL24989037 0.94 KDM4E (0.58) KDM4ETP53DRD2DRD3ADRB1
SCHEMBL4228201 0.93 KDM4E (0.56) KDM4ETP53DRD2DRD3ADRB1
SCHEMBL2384959 0.87 KDM4E (0.80) KDM4ETP53DRD2DRD3CHRNA10
SCHEMBL6718397 0.85 DRD2 (0.53) KDM4ETP53DRD2DRD3ADRB1
Formic Acid Methyl Ester SCHEMBL28330267 0.85 ADRB1 (0.53) KDM4ETP53DRD2DRD3ADRB1
SCHEMBL5570604 0.84 ADRB1 (0.77) KDM4EADRB1HTR3EHTR3BHTR3A
SCHEMBL154178 0.83 KDM4E (0.68) KDM4ETP53CHRNA10CHRNA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444454-B N-hydroxy amidine derivative, preparation method and application thereof, and tumor immunotherapy medicament 中国医学科学院医药生物技术研究所 2023-09-12 CN claimed
CN-116444454-A N-hydroxy amidine derivative, preparation method and application thereof, and tumor immunotherapy medicament 中国医学科学院医药生物技术研究所 2023-07-18 CN claimed
CN-104046246-B The chemical-mechanical planarization of tungsten-containing substrate 气体产品与化学公司 2016-06-15 CN claimed
CN-102797043-B Medicinal molecular fragment library and construction process thereof Tianli (Tianjin) Technology Co., Ltd. (CN) 2015-11-25 CN claimed
US-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 US claimed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 EP claimed
CN-104046246-A Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PROD & CHEM 2014-09-17 CN claimed
CN-102797043-A Medicinal molecular fragment library and construction method thereof CBB NETWORK CO LTD 2012-11-28 CN claimed
EP-1831206-B1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARM INC (US) 2011-08-24 EP claimed
CN-100505364-C Dynamic molecular electronic component and its operating method UNIV FUDAN (CN) 2009-06-24 CN claimed
JP-2008521903-A 2008-06-26 JP claimed
EP-1831206-A2 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI Pharmaceuticals, Inc. (US) 2007-09-12 EP claimed
CN-1805168-A Dynamic molecular electronic component and its operating method UNIV FUDAN (CN) 2006-07-19 CN claimed
WO-2006060381-A2 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARMACEUTICALS, INC. (US) 2006-06-08 WO claimed
US-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library OSI PHARMACEUTICALS, INC. 2006-06-01 US claimed
CN-122059950-A Compounds with proteasome agonistic activity, preparation method and application thereof 浙大城市学院 2026-05-19 CN disclosed
US-20260078120-A1 SUBSTITUTED PYRIDOPYRIMIDINONES Mirati Therapeutics, Inc. (US) 2026-03-19 US disclosed
EP-0269383-A2 1-Aryloxy-4-[(4-aryl)-1-piperazinyl]-2-butanols useful as antiallergy agents A.H. ROBINS COMPANY, INCORPORATED (US) 1988-06-01 EP disclosed
US-4532240-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1985-07-30 US disclosed
EP-0103464-A2 Diaminopyrimidines and their production WARNER-LAMBERT COMPANY (US) 1984-03-21 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 (2 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-20260078120-A1 SUBSTITUTED PYRIDOPYRIMIDINONES CBR1, CBR3, CNR1 KDM4E 3223/4885TP53 4728/4885DRD2 680/4885
US-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library KIT, CHUK, TNNI3K KDM4E 1478/4885TP53 356/4885DRD2 4114/4885

“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.