SCHEMBL4122227

SCHEMBL4122227

O=C(NCCCN1CCOCC1)Nc1cccc(Cn2nc(-c3ccc(F)cc3)ccc2=O)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 6/20 0.68
▸ LMNA P02545 1/20 0.49
▸ TSHR P16473 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ EPHX2 P34913 1/20 0.49
▸ ALOX15 P16050 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ ADRA2B P18089 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ HTR4 Q13639 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CNR2 P34972 1/20 0.47
▸ CCR3 P51677 2/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ TRPV4 Q9HBA0 1/20 0.46

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
SCHEMBL2469466 0.94 MET (0.78) METTSHRUSP2EPHX2MAPT
Hydrochloric Acid SCHEMBL2673443 0.93 MET (0.76) METTSHRUSP2EPHX2MAPT
SCHEMBL3862559 0.93 MET (0.64) METTSHRUSP2ALOX15MAPT
SCHEMBL2467968 0.92 MET (0.64) METTSHRUSP2EPHX2MAPT
SCHEMBL2471211 0.89 MET (0.75) METLMNAEPHX2CNR2
SCHEMBL2467416 0.87 MET (0.61) METLMNAEPHX2CNR2
SCHEMBL2672939 0.87 MET (0.88) METEPHX2
SCHEMBL2471041 0.86 MET (0.66) METTSHRUSP2ALOX15ADRA2A
SCHEMBL2469596 0.85 MET (0.65) METTSHRUSP2ALOX15
SCHEMBL2469585 0.85 MET (0.54) METTSHRUSP2ALOX15ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173653-B2 Pyridiazinone derivatives for the treatment of tumours MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2012-05-08 — — US disclosed
US-8173653-B2 Pyridiazinone derivatives for the treatment of tumours MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2012-05-08 — — US disclosed
EP-1960370-B1 PYRIDIAZINONE DERIVATIVES FOR TUMOUR TREATMENT MERCK PATENT GMBH (DE) 2011-10-05 — — EP disclosed
US-20080293719-A1 Pyridiazinone Derivatives for the Treatment of Tumours MERCK PATENT GESELLSCHAFT (DE) 2008-11-27 — — US disclosed
US-20080293719-A1 Pyridiazinone Derivatives for the Treatment of Tumours MERCK PATENT GESELLSCHAFT (DE) 2008-11-27 — — US disclosed
WO-2007065518-A1 PYRIDIAZINONE DERIVATIVES FOR TUMOUR TREATMENT MERCK PATENT GMBH (DE) 2007-06-14 — — 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 (1 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-20080293719-A1 Pyridiazinone Derivatives for the Treatment of Tumours MET, RET, ERBB2 MET 1/4885LMNA 2429/4885TSHR 296/4885

“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.

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