SCHEMBL1992377

SCHEMBL1992377

Nc1ccc(N2CCNCC2)cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.64
CHRNA4 P43681 8/20 0.64
PIM1 P11309 1/20 0.51
PIM3 Q86V86 1/20 0.51
ADRB1 P08588 3/20 0.48
HTR3E A5X5Y0 2/20 0.48
HTR3B O95264 2/20 0.48
HTR3A P46098 2/20 0.48
HTR3D Q70Z44 2/20 0.48
HTR3C Q8WXA8 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
ADRB2 P07550 1/20 0.48
NCF1 P14598 1/20 0.48
PLD1 Q13393 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
ROCK2 O75116 1/20 0.45

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
Hydrochloric Acid SCHEMBL4935425 0.98 CHRNB2 (0.62) CHRNB2CHRNA4PIM1PIM3ADRB1
Hydrochloric Acid SCHEMBL21045786 0.98 CHRNB2 (0.62) CHRNB2CHRNA4PIM1PIM3ADRB1
SCHEMBL5658694 0.93 CHRNB2 (0.68) CHRNB2CHRNA4PIM1PIM3
SCHEMBL25143036 0.89 CHRNB2 (0.51) CHRNB2CHRNA4PIM1PIM3ADRB1
Pivalate SCHEMBL28600103 0.85 CHRNB2 (0.49) CHRNB2CHRNA4PIM1PIM3ADRB1
Tert-Butyl Formate SCHEMBL27722336 0.83 CHRNB2 (0.47) CHRNB2CHRNA4PIM1PIM3ADRB1
SCHEMBL13779836 0.82 MAPT (0.50) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL3367822 0.82 CHRNB2 (0.47) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL29883782 0.82 MAPT (0.50) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL823334 0.81 MAPT (0.53) CHRNB2CHRNA4KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119504739-A Novel method for synthesizing palbociclin 江苏权正检验检测有限公司 2025-02-25 CN claimed
CN-119504740-A New preparation method of palbociclin 江苏权正检验检测有限公司 2025-02-25 CN claimed
CN-118994194-A Small molecular compound with IDO1 inhibitory activity and preparation method and application thereof 新疆医科大学第一附属医院 2024-11-22 CN claimed
CN-117141062-B Flame-retardant copper-clad plate and preparation process thereof 江苏富乐华半导体科技股份有限公司 2024-03-15 CN claimed
CN-117069663-B Synthesis method of rebaudinib intermediate V and synthesis method of rebaudinib 四川维亚本苑生物科技有限公司 2023-12-26 CN claimed
CN-117185761-A Preparation method of high-compactness flame-retardant gypsum-based fiber board 泰山石膏(江阴)有限公司 2023-12-08 CN claimed
CN-111995569-B Preparation method of cyclin-dependent kinase inhibitor intermediate 成都博腾药业有限公司 2023-12-05 CN claimed
CN-117141062-A Flame-retardant copper-clad plate and preparation process thereof 江苏富乐华半导体科技股份有限公司 2023-12-01 CN claimed
CN-117069663-A Synthesis method of rebaudinib intermediate V and synthesis method of rebaudinib 四川维亚本苑生物科技有限公司 2023-11-17 CN claimed
EP-4126244-A1 COMBINATION OF ANTI-HER2 ANTIBODY AND CDK INHIBITIOR FOR TUMOR TREATMENT Jiangsu Alphamab Biopharmaceuticals Co., Ltd. (CN) 2023-02-08 EP claimed
CN-111995569-A Preparation method of cyclin-dependent kinase inhibitor intermediate 成都博腾药业有限公司 2020-11-27 CN claimed
CN-111574518-A Pyridine oxide derivative and composition, preparation method and application thereof 黄泳华 2020-08-25 CN claimed
CN-111265668-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-06-12 CN claimed
US-20080167309-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS, LTD. (UK) 2008-07-10 US claimed
EP-1781647-A2 THIAZOLE AND ISOTHIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS Astex Therapeutics Limited (GB) 2007-05-09 EP claimed
WO-2006008545-A2 THIAZOLE AND ISOTHIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-01-26 WO claimed
US-20260146042-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2026-05-28 US disclosed
EP-4644390-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF Beyang Therapeutics Co., Ltd. (CN) 2025-11-05 EP disclosed
WO-2006008545-A2 THIAZOLE AND ISOTHIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-01-26 WO disclosed
WO-2005099711-A1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 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 (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-20260146042-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK9, CDK6, CDK7 CHRNB2 4855/4885CHRNA4 4787/4885PIM1 329/4885
US-20080167309-A1 Pharmaceutical Compounds CCNO, CDK2, CDK1 CHRNB2 1268/4885CHRNA4 1874/4885PIM1 2328/4885

“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.