SCHEMBL4040084

SCHEMBL4040084

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ATM Q13315 1/20 0.46
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
CNR1 P21554 1/20 0.43
NTSR1 P30989 1/20 0.43
OPRK1 P41145 1/20 0.43
PDE4D Q08499 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
METAP2 P50579 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL1754735 0.81 POLB (0.57) HPGDNPSR1ATMJAK2JAK1
SCHEMBL28186757 0.79 ATM (0.47) NPSR1ATMJAK2JAK1TYK2
SCHEMBL8480564 0.78 JAK2 (0.51) HPGDNPSR1ATMJAK2JAK1
SCHEMBL22643908 0.74 JAK2 (0.44) HPGDNPSR1ATMJAK2JAK1
SCHEMBL1754686 0.74 GSK3B (0.49) HPGDMAPTALOX15MAPK1ALDH1A1
SCHEMBL4045467 0.74 CYP1A2 (0.43) NPSR1ATMJAK2JAK1TYK2
SCHEMBL3425017 0.73 KDR (0.62) HPGDNPSR1KMT2AMEN1LMNA
SCHEMBL705177 0.73 MAPT (0.56) HPGDNPSR1KMT2AMEN1LMNA
SCHEMBL8479885 0.73 ALDH1A1 (0.43) HPGDNPSR1ATMJAK2JAK1
SCHEMBL27598057 0.73 PIN1 (0.56) OPRK1LMNAMAPTALDH1A1BTK

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
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
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 HPGD 2651/4885NPSR1 203/4885ATM 3316/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 HPGD 3072/4885NPSR1 138/4885ATM 3503/4885

“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.