SCHEMBL188554

SCHEMBL188554

OCCN1CCN(c2cc[c]cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
DRD2 P14416 4/20 0.45
DRD3 P35462 1/20 0.45
SIGMAR1 Q99720 3/20 0.44
HTR1A P08908 2/20 0.43
MEN1 O00255 2/20 0.43
CYP2C19 P33261 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 2/20 0.42
HTR7 P34969 1/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
DUSP3 P51452 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
SCHEMBL4576289 0.81 DRD2 (0.68) KCNH2DRD2DRD3SIGMAR1HTR1A
SCHEMBL6385783 0.81 KCNH2 (0.69) KCNH2DRD2DRD3SIGMAR1HTR1A
SCHEMBL29005764 0.80 KCNH2 (0.45) KCNH2DRD2DRD3SIGMAR1HTR1A
SCHEMBL5795262 0.79
SCHEMBL5539804 0.79 KDM4E (0.58) KCNH2DRD2DRD3SIGMAR1HTR1A
SCHEMBL4137047 0.78 PKM (0.53) DRD2DRD3SIGMAR1MEN1CYP2C19
SCHEMBL6151437 0.78 MAPT (0.62) KCNH2DRD2DRD3SIGMAR1HTR1A
SCHEMBL6150880 0.78 MAPT (0.62) KCNH2DRD2DRD3SIGMAR1HTR1A
SCHEMBL10365486 0.78 HTR1A (0.57) DRD2DRD3SIGMAR1HTR1AALDH1A1
SCHEMBL578256 0.78 AKR1C3 (0.46) KCNH2DRD2DRD3SIGMAR1HTR1A

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
US-20230142913-A1 TRICYCLIC HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-05-11 US claimed
CN-114787160-A Imidazopyridazines and imidazopyridines as activin receptor-like kinase-2 inhibitors 因赛特公司 2022-07-22 CN claimed
EP-3898627-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AS INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE-2 Incyte Corporation (US) 2021-10-27 EP claimed
US-20200199131-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2020-06-25 US claimed
WO-2020132197-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AS INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE-2 INCYTE CORPORATION (US) 2020-06-25 WO claimed
CN-102741256-A Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase HANMI PHARM IND CO LTD 2012-10-17 CN claimed
US-12030889-B2 Imidazopyridazine and imidazopyridine compounds and uses thereof INCYTE CORPORATION (US) 2024-07-09 US disclosed
US-20230142913-A1 TRICYCLIC HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-05-11 US disclosed
CN-114787160-A Imidazopyridazines and imidazopyridines as activin receptor-like kinase-2 inhibitors 因赛特公司 2022-07-22 CN disclosed
EP-3898627-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AS INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE-2 Incyte Corporation (US) 2021-10-27 EP disclosed
WO-2020132197-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AS INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE-2 INCYTE CORPORATION (US) 2020-06-25 WO disclosed
US-20200199131-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2020-06-25 US disclosed
EP-2017278-B1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2016-11-02 EP disclosed
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives MERCK SHARP & DOHME LLC 2010-03-11 US disclosed
EP-2016080-A4 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-05-13 EP disclosed
CN-101432284-A Dihydropyrazolopyrimidinone derivative BANYU PHARMA CO LTD (JP) 2009-05-13 CN disclosed
EP-2016080-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 EP disclosed
EP-2017278-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 EP disclosed
WO-2007126122-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-11-08 WO disclosed
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2007-11-01 US 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 (5 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-20230142913-A1 TRICYCLIC HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME CDK1, CSNK1A1, CSNK1G1 KCNH2 4286/4885DRD2 4574/4885DRD3 4278/4885
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 KCNH2 2286/4885DRD2 2713/4885DRD3 2236/4885
US-12030889-B2 Imidazopyridazine and imidazopyridine compounds and uses thereof ALK, ABL2, ACVR2A KCNH2 1027/4885DRD2 3478/4885DRD3 4679/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 KCNH2 2286/4885DRD2 2713/4885DRD3 2236/4885
US-20200199131-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF ALK, ABL2, ACVR2A KCNH2 1027/4885DRD2 3478/4885DRD3 4679/4885

“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.