SCHEMBL5227052

SCHEMBL5227052

OC1CCN(c2ccncc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.50
ADRB2 P07550 1/20 0.46
NCF1 P14598 1/20 0.46
PLD1 Q13393 1/20 0.46
AR P10275 1/20 0.45
CDK1 P06493 1/20 0.44
CDK2 P24941 1/20 0.44
MAPT P10636 1/20 0.43
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
WDR91 A4D1P6 1/20 0.40
ABL1 P00519 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
NOTUM Q6P988 1/20 0.40

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
SCHEMBL6403521 1.00 CHKA (0.50) CHKAADRB2NCF1PLD1AR
SCHEMBL7954968 1.00 CHKA (0.50) CHKAADRB2NCF1PLD1AR
SCHEMBL30668708 0.89 CHKA (0.57) CHKAADRB2NCF1PLD1CDK2
SCHEMBL206718 0.88 CHKA (0.59) CHKAADRB2NCF1PLD1CDK1
SCHEMBL18774296 0.85 AR (0.42) ARCDK1CDK2MAPTKDM1A
Hydrochloric Acid SCHEMBL28779994 0.84 AR (0.41) ARCDK1CDK2MAPTKDM1A
SCHEMBL27818330 0.84 CHKA (0.52) CHKAADRB2NCF1PLD1MAPT
SCHEMBL4719579 0.80 CHRNB2 (0.57) HRH3
SCHEMBL4881480 0.80 CHRNB2 (0.57) HRH3
SCHEMBL6398487 0.80 NOTUM (0.59) ARDPP4NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113493628-A Quantum dot ink and preparation method of quantum dot film TCL科技集团股份有限公司 2021-10-12 CN claimed
CN-113122053-A Quantum dot ink and preparation method of quantum dot film TCL集团股份有限公司 2021-07-16 CN claimed
US-8541178-B2 Analysis of antibody drug conjugates by bead-based affinity capture and mass spectrometry GENENTECH, INC. (US) 2013-09-24 US claimed
US-20050232929-A1 Mass spectrometry of antibody conjugates GENENTECH, INC. 2005-10-20 US claimed
US-20240190831-A1 TRANSTHYRETIN STABILIZING COMPOUNDS PROTEGO BIOPHARMA, INC. 2024-06-13 US disclosed
CN-117177973-A Pyrido [3,2-D ] pyrimidine compounds and their use for the treatment of proliferative disorders 蒙特利尔大学 2023-12-05 CN disclosed
CN-113493628-B Quantum dot ink and preparation method of quantum dot film TCL科技集团股份有限公司 2023-06-23 CN disclosed
WO-2023009585-A2 TRANSTHYRETIN STABILIZING COMPOUNDS PROTEGO BIOPHARMA, INC. (US) 2023-02-02 WO disclosed
WO-2023009585-A2 TRANSTHYRETIN STABILIZING COMPOUNDS PROTEGO BIOPHARMA, INC. (US) 2023-02-02 WO disclosed
CN-113493628-A Quantum dot ink and preparation method of quantum dot film TCL科技集团股份有限公司 2021-10-12 CN disclosed
CN-113122053-A Quantum dot ink and preparation method of quantum dot film TCL集团股份有限公司 2021-07-16 CN disclosed
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
EP-0974602-A1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR Corporation (JP) 2000-01-26 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed
EP-0880502-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
EP-0880501-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997028129-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-08-07 WO disclosed
WO-1997028128-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1997-08-07 WO disclosed
EP-0774465-A1 Penem derivatives and antimicrobial agents containing the same SUNTORY LIMITED (JP) 1997-05-21 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 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-20050232929-A1 Mass spectrometry of antibody conjugates PA2G4, DBI, IGSF11 CHKA 2199/4885ADRB2 3947/4885NCF1 1648/4885
US-20240190831-A1 TRANSTHYRETIN STABILIZING COMPOUNDS TTR, TTPA, MTPN CHKA 3687/4885ADRB2 3768/4885NCF1 2131/4885

“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.