SCHEMBL125618

SCHEMBL125618

CN1CCC(CC#N)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.50
HRH3 Q9Y5N1 3/20 0.34
HRH4 Q9H3N8 1/20 0.34
ACHE P22303 4/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
JAK2 O60674 4/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
ABL1 P00519 1/20 0.32
KDR P35968 1/20 0.32
STAT3 P40763 1/20 0.32
GSK3B P49841 1/20 0.32
AURKB Q96GD4 1/20 0.32
SYK P43405 1/20 0.31
GNAI3 P08754 1/20 0.31

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
SCHEMBL26310368 0.92 NCF1 (0.43) NCF1HRH3HRH4CTSBCTSS
SCHEMBL26990573 0.88
SCHEMBL12561223 0.88
SCHEMBL22695352 0.80 KDM1A (0.40) NCF1HRH3ALDH1A1KDM1A
SCHEMBL24609877 0.77 HRH3 (0.41) HRH3JAK2SYK
SCHEMBL12561751 0.77 NCF1 (0.46) NCF1HRH3HRH4ACHEJAK2
SCHEMBL20842233 0.76
SCHEMBL20795823 0.76
SCHEMBL22691891 0.76 MAOB (0.36) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL10503434 0.76 NCF1 (0.50) NCF1HRH3HRH4ACHEGNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4327886-A2 PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF Libertas Bio, Inc. (US) 2024-02-28 EP disclosed
EP-3392252-B1 PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF LIBERTAS BIO INC (US) 2023-10-04 EP disclosed
WO-2023173014-A1 KRAS INHIBITORS AND THEIR USE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed
WO-2022143628-A1 METHOD FOR PREVENTING OR TREATING DISEASE OR CONDITION ASSOCIATED WITH ANTITUMOR AGENT 上海岸阔医药科技有限公司 2022-07-07 WO disclosed
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2021-02-18 US disclosed
US-20200190095-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF ABS DEVELOPMENT 1, INC. 2020-06-18 US disclosed
EP-3381920-B1 CDK INHIBITORS G1 THERAPEUTICS INC (US) 2019-03-27 EP disclosed
US-10188654-B2 Uses of pyrimido-pyridazinones to treat cancer ASANA BIOSCIENCES, LLC (US) 2019-01-29 US disclosed
EP-2748166-B1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND USE THEREOF ASANA BIOSCIENCES LLC (US) 2018-07-11 EP disclosed
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER ASANA BIOSCIENCES, LLC (US) 2017-06-08 US disclosed
US-7932259-B2 Pyrrolo[2,3-d]pyrimidine derivatives substituted with a cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-20100210662-A1 INDOL-2-ONE DERIVATIVES DISUBSTITUTED IN THE 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-19 US disclosed
EP-2188253-A2 INDOL-2-ONE DERIVATIVES DISUBSTITUTED IN THE 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-05-26 EP disclosed
US-7557111-B2 Substituted thieno[3,2-d]pyrimidines as CRF receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-07 US disclosed
WO-2009056707-A2 INDOL-2-ONE DERIVATIVES DISUBSTITUTED IN THE 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-05-07 WO disclosed
US-20090111835-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-04-30 US disclosed
EP-1787992-B1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO LTD (JP) 2009-04-29 EP disclosed
US-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group TASHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-20 US disclosed
US-20070254898-A1 Thienopyrimidine and Thienopyridine Derivatives Substituted with Cyclic Amino Group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1787992-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-05-23 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-20100210662-A1 INDOL-2-ONE DERIVATIVES DISUBSTITUTED IN THE 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF IDO2, IDO1, TPH2 NCF1 3322/4885HRH3 911/4885HRH4 1387/4885
US-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group HRH2, HRH4, CRHR1 NCF1 517/4885HRH3 8/4885HRH4 2/4885
US-20070254898-A1 Thienopyrimidine and Thienopyridine Derivatives Substituted with Cyclic Amino Group HRH2, HRH3, HRH4 NCF1 761/4885HRH3 2/4885HRH4 3/4885
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD NCF1 1096/4885HRH3 3742/4885HRH4 3927/4885
US-10188654-B2 Uses of pyrimido-pyridazinones to treat cancer MKI67, DPYD, TYMP NCF1 1078/4885HRH3 2015/4885HRH4 2224/4885
US-20170157126-A1 USES OF PYRIMIDO-PYRIDAZINONES TO TREAT CANCER MKI67, DPYD, TYMP NCF1 1078/4885HRH3 2015/4885HRH4 2224/4885
US-20200190095-A1 PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF THPO, TYMP, TYMS NCF1 2682/4885HRH3 866/4885HRH4 697/4885
US-20090111835-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP HRH2, HRH3, HRH4 NCF1 645/4885HRH3 2/4885HRH4 3/4885

“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.