SCHEMBL1126513

SCHEMBL1126513

Nc1ccc(N2CCN(c3ccccn3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.58
DRD2 P14416 2/20 0.58
DRD4 P21917 2/20 0.58
HTR2A P28223 2/20 0.58
HTR7 P34969 2/20 0.58
DRD3 P35462 2/20 0.58
KCNH2 Q12809 1/20 0.57
PLD1 Q13393 1/20 0.54
HTR2C P28335 1/20 0.53
GPR119 Q8TDV5 1/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
MAPT P10636 4/20 0.50
GFER P55789 2/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 1/20 0.50
HK1 P19367 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
SCHEMBL3319562 0.85 KCNH2 (0.73) DRD2DRD4DRD3KCNH2PLD1
SCHEMBL29381819 0.85 KCNH2 (0.73) DRD2DRD4DRD3KCNH2PLD1
SCHEMBL6429146 0.83 KCNH2 (0.56) HTR1ADRD2DRD4HTR2AHTR7
SCHEMBL29857922 0.83 PLD1 (0.73) KCNH2PLD1ALDH1A1KDM4EMAPT
SCHEMBL15800694 0.83 PLD1 (0.73) KCNH2PLD1ALDH1A1KDM4EMAPT
SCHEMBL21353591 0.83
SCHEMBL22495310 0.83 GRIN2D (0.56) HTR1ADRD2DRD4HTR2AHTR7
SCHEMBL16994742 0.83 KDM4E (0.62) KCNH2PLD1GPR119ALDH1A1KDM4E
SCHEMBL11076572 0.83 GAA (0.61) KCNH2PLD1GPR119ALDH1A1KDM4E
SCHEMBL2232397 0.83 KCNH2 (0.57) KCNH2PLD1GPR119ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3141552-B1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM IND CO LTD (KR) 2019-04-17 EP claimed
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase HANMI PHARM. CO., LTD. (KR) 2018-10-30 US claimed
EP-3141552-A1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2017-03-15 EP claimed
EP-2528920-A2 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2012-12-05 EP claimed
US-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-11-29 US claimed
WO-2011093672-A2 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM. CO., LTD. (KR) 2011-08-04 WO claimed
US-12365659-B2 Non-polyamine based polyamine transport inhibitors and their use in the treatment of human cancers UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2025-07-22 US disclosed
EP-3728234-B1 RADIOLABELED COMPOUNDS HOFFMANN LA ROCHE (CH) 2025-05-14 EP disclosed
US-20240166614-A1 NON-POLYAMINE BASED POLYAMINE TRANSPORT INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN CANCERS UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. 2024-05-23 US disclosed
US-11905268-B2 Anthranilic acid derivatives and their use in the treatment of human cancers UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2024-02-20 US disclosed
US-11541132-B2 Radiolabeled compounds HOFFMANN-LA ROCHE INC. (US) 2023-01-03 US disclosed
US-11541132-B2 Radiolabeled compounds HOFFMANN-LA ROCHE INC. (US) 2023-01-03 US disclosed
US-20220064133-A1 ANTHRANILIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF HUMAN CANCERS Sanford Burnham Prebys Medical Discovery Institute 2022-03-03 US disclosed
US-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CHONG WESLEY K M (US) 2003-11-27 US disclosed
US-6569878-B1 Such as 4-amino-2-phenylamino-thiazol-5-yl)-(3-nitrophenyl)-methanone for treating cancer AGOURON PHARMACEUTICALS INC. 2003-05-27 US disclosed
EP-1215208-A2 4-Aminothiazole derivatives, their preparation and their use as inhibitors of cyclin-dependent kinases Agouron Pharmaceuticals, Inc. (US) 2002-06-19 EP disclosed
EP-1056732-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 2000-12-06 EP disclosed
WO-1999021845-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 1999-05-06 WO disclosed
US-4788196-A Phenyl piperazine anti-arrhythmia agents PFIZER INC. (US) 1988-11-29 US disclosed
EP-0244115-A2 Phenyl-piperazine anti-arrhythmia agents Pfizer Limited (GB) 1987-11-04 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 (8 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-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE CDK2, SBK3, CDK2AP1 HTR1A 3953/4885DRD2 4211/4885DRD4 4606/4885
US-11905268-B2 Anthranilic acid derivatives and their use in the treatment of human cancers ANXA6, ANXA1, ANTXR2 HTR1A 2830/4885DRD2 4442/4885DRD4 4685/4885
US-20220064133-A1 ANTHRANILIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF HUMAN CANCERS ENY2, ANTXR2, ALAD HTR1A 3339/4885DRD2 4675/4885DRD4 4060/4885
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase CDK2, SBK3, CDK2AP1 HTR1A 3953/4885DRD2 4211/4885DRD4 4606/4885
US-11541132-B2 Radiolabeled compounds SNCA, APP, BACE1 HTR1A 199/4885DRD2 402/4885DRD4 494/4885
US-12365659-B2 Non-polyamine based polyamine transport inhibitors and their use in the treatment of human cancers SLC19A1, PNMT, SRM HTR1A 1265/4885DRD2 3677/4885DRD4 4239/4885
US-20240166614-A1 NON-POLYAMINE BASED POLYAMINE TRANSPORT INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN CANCERS SLC19A1, PNMT, SRM HTR1A 1265/4885DRD2 3677/4885DRD4 4239/4885
US-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CDK2, CDK4, CDK1 HTR1A 2541/4885DRD2 1384/4885DRD4 1824/4885

“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.