SCHEMBL4045467

SCHEMBL4045467

O=c1[nH]nc(-c2ncccn2)cc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
RAB9A P51151 2/20 0.41
HPGDS O60760 2/20 0.41
POLB P06746 1/20 0.41
TGFBR1 P36897 1/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
PIN1 Q13526 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
SCHEMBL27598057 0.85 PIN1 (0.56) CYP1A2RAB9APOLBTGFBR1NPC1
SCHEMBL1754735 0.84 POLB (0.57) CYP1A2ATMNPSR1JAK2JAK1
SCHEMBL1754686 0.80 GSK3B (0.49) CYP1A2RAB9APOLBTP53KDM4E
SCHEMBL705177 0.75 MAPT (0.56) CYP1A2NPSR1RAB9APOLBNPC1
SCHEMBL28186757 0.75 ATM (0.47) CYP1A2ATMNPSR1JAK2JAK1
SCHEMBL3540845 0.74 GSK3B (0.61) NPSR1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL4040084 0.74 HPGD (0.46) ATMNPSR1JAK2JAK1TYK2
SCHEMBL8480564 0.74 JAK2 (0.51) ATMNPSR1JAK2JAK1TYK2
SCHEMBL2109451 0.73 CYP1A2 (0.37) CYP1A2ATMNPSR1JAK2JAK1
SCHEMBL8479885 0.72 ALDH1A1 (0.43) CYP1A2ATMNPSR1JAK2JAK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101486683-B Pyridazinone and triazinone compounds and their use as pharmaceutical formulations Sanitary Material R&D Management Co.,Ltd. (JP) 2011-12-21 CN disclosed
CN-101486683-A Pyridazinone and triazinone compounds and their use as pharmaceutical formulations EISAI R&D MAN CO LTD (JP) 2009-07-22 CN disclosed
CN-100473647-C Pyridazinone and triazinone compounds and their use as pharmaceutical formulations EISAI CO LTD (JP) 2009-04-01 CN disclosed
EP-1319659-B1 TRIAZINONES AND MEDICINAL USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-03-11 EP disclosed
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-08-24 US disclosed
US-20030225081-A1 Pyridazinones and triazinones and medicinal use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-12-04 US disclosed
CN-1458924-A Pyridazinone and triazinone compounds and their use as pharmaceutical formulations EISAI CO LTD (JP) 2003-11-26 CN disclosed
EP-1319659-A1 PYRIDAZINONES AND TRIAZINONES AND MEDICINAL USE THEREOF Eisai Co., Ltd. (JP) 2003-06-18 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-20030225081-A1 Pyridazinones and triazinones and medicinal use thereof GRIK1, GRIK3, GRIK2 CYP1A2 1276/4885ATM 3316/4885NPSR1 203/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 CYP1A2 712/4885ATM 3503/4885NPSR1 138/4885

“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.