SCHEMBL3539733

SCHEMBL3539733

[c]1ccnc2cc(CN3CCOCC3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 2/20 0.42
TSHR P16473 2/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CSF1R P07333 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KCNJ1 P48048 1/20 0.39
PARP1 P09874 1/20 0.38
GRM2 Q14416 1/20 0.38

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
SCHEMBL22121785 0.76 PRKDC (0.46) SMN1; SMN2NPC1TP53TSHRRAB9A
SCHEMBL27892399 0.74 HRH3 (0.49) HRH3SMN1; SMN2NPC1TSHRRAB9A
SCHEMBL31428708 0.72 CHKA (0.64) NCF1HRH3SMN1; SMN2NPC1TP53
SCHEMBL27892428 0.72 SYK (0.55) NCF1HTTHPGDALDH1A1KDM4E
SCHEMBL5746853 0.71 NOS3 (0.39) HRH3SMN1; SMN2NPC1TP53RAB9A
SCHEMBL22121598 0.71 RECQL (0.39)
SCHEMBL15467001 0.70 HRH3 (0.87) NCF1HRH3SMN1; SMN2HPGDALDH1A1
SCHEMBL110226 0.69 HRH3 (0.49) NCF1HRH3SMN1; SMN2NPC1TP53
SCHEMBL31731592 0.69 ACVR1 (0.49) NCF1SMN1; SMN2NPC1TP53TSHR
SCHEMBL3585287 0.69 HRH3 (0.47) NCF1HRH3SMN1; SMN2NPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-12030889-B2 Imidazopyridazine and imidazopyridine compounds and uses thereof INCYTE CORPORATION (US) 2024-07-09 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
US-20200199131-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2020-06-25 US 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-7662811-B2 N-(((5R)-5-((1-methylethyl)amino)-5,6,7,8-tetrahydro-2-naphthalenyl)methyl)-2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-1,2,3,4-tetrahydro-2-pyrazinyl)acetamide; for treatment of pain and diseases, such as inflammation mediated diseases AMGEN INC. (US) 2010-02-16 US disclosed
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
EP-1633743-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATION-RELATED DISORDERS MEDIATED BY BRADYKININ Amgen, Inc. (US) 2006-03-15 EP disclosed
EP-1631542-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF Amgen, Inc. (US) 2006-03-08 EP disclosed
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AMGEN INC. 2006-02-02 US disclosed
US-20050234044-A1 Cyclic amine derivatives and methods of use AMGEN INC. 2005-10-20 US disclosed
US-20050124654-A1 Compounds and methods of use AMGEN INC. 2005-06-09 US disclosed
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects AMGEN INC. 2005-01-20 US disclosed
WO-2004092164-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATION-RELATED DISORDERS MEDIATED BY BRADYKININ AMGEN, INC. (US) 2004-10-28 WO disclosed
WO-2004092116-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF AMGEN, INC. (US) 2004-10-28 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 (7 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-20050124654-A1 Compounds and methods of use LTC4S, PTGES, LTB4R2 NCF1 1043/4885HRH3 1002/4885SMN1; SMN2 1190/4885
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AADAC, PTGES2, LTC4S NCF1 1690/4885HRH3 574/4885SMN1; SMN2 1336/4885
US-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS NCF1 1423/4885HRH3 859/4885SMN1; SMN2 1545/4885
US-12030889-B2 Imidazopyridazine and imidazopyridine compounds and uses thereof ALK, ABL2, ACVR2A NCF1 1634/4885HRH3 1130/4885SMN1; SMN2 1622/4885
US-20200199131-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF ALK, ABL2, ACVR2A NCF1 1634/4885HRH3 1130/4885SMN1; SMN2 1622/4885
US-20050234044-A1 Cyclic amine derivatives and methods of use PTGIS, BDKRB2, LTC4S NCF1 1347/4885HRH3 76/4885SMN1; SMN2 1844/4885
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects ACHE, TNF, BCHE NCF1 1712/4885HRH3 53/4885SMN1; SMN2 618/4885

“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.