SCHEMBL2152938

SCHEMBL2152938

O=c1ccc(-c2cccc(O)c2)n[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
METAP2 P50579 1/20 0.51
HSD17B1 P14061 5/20 0.50
HSD17B2 P37059 5/20 0.50
LMNA P02545 3/20 0.50
PDE4A P27815 3/20 0.50
PDE4B Q07343 3/20 0.50
PDE4C Q08493 3/20 0.50
PDE4D Q08499 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GPR119 Q8TDV5 1/20 0.48
PDE3B Q13370 4/20 0.48
PDE3A Q14432 4/20 0.48
MLLT3 P42568 1/20 0.47
MLLT1 Q03111 1/20 0.47
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.44
JAK2 O60674 1/20 0.43
NTRK1 P04629 1/20 0.43

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
SCHEMBL10353459 0.87 CYP1A2 (0.74) CYP1A2LMNAPDE4APDE4BPDE4C
SCHEMBL7298232 0.81 CYP1A2 (0.65) CYP1A2LMNAPDE4APDE4BPDE4C
SCHEMBL3115615 0.80 CYP1A2 (0.64) CYP1A2LMNAPDE4APDE4BPDE4C
SCHEMBL2829502 0.79 CYP1A2 (0.62) CYP1A2METAP2LMNAPDE4APDE4B
SCHEMBL1301730 0.79 CYP1A2 (0.62) CYP1A2LMNAPDE4APDE4BPDE4C
SCHEMBL10066830 0.79 CYP1A2 (0.62) CYP1A2METAP2LMNAPDE4APDE4B
SCHEMBL4048920 0.79 CYP1A2 (0.62) CYP1A2LMNAPDE4APDE4BPDE4C
SCHEMBL11628763 0.79 KMT2A (0.64) CYP1A2METAP2LMNAPDE4APDE4B
SCHEMBL8890194 0.79 CYP1A2 (0.50) CYP1A2METAP2GPR119MLLT3MLLT1
SCHEMBL2152989 0.78 LMNA (0.67) CYP1A2LMNAPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101678214-B Aryl ether pyridazinone derivatives MERCK PATENT GMBH 2013-06-19 CN disclosed
US-8445489-B2 Aryl ether pyridazinone derivatives MERCK PATENT GMBH (DE) 2013-05-21 US disclosed
US-8445489-B2 Aryl ether pyridazinone derivatives MERCK PATENT GMBH (DE) 2013-05-21 US disclosed
US-8445489-B2 Aryl ether pyridazinone derivatives MERCK PATENT GMBH (DE) 2013-05-21 US disclosed
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
EP-2152370-B1 ARYL ETHER PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2011-07-06 EP disclosed
US-20100179149-A1 ARYL ETHER PYRIDAZINONE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2010-07-15 US disclosed
US-20100179149-A1 ARYL ETHER PYRIDAZINONE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2010-07-15 US disclosed
WO-2008145242-A1 ARYL ETHER PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2008-12-04 WO 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
EP-0835865-B1 Dihydropyridazinones and pyridazinones and their use as fungicides and insecticides DOW AGROSCIENCES LLC (US) 2003-03-12 EP disclosed
US-6121251-A CONTROLLING PHYTOPATHOGENIC FUNGI, INSECTS ROHM AND HAAS COMPANY (US) 2000-09-19 US disclosed
EP-0835865-A1 Dihydropyridazinones and pyridazinones and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 1998-04-15 EP disclosed
US-5635494-A CONTROLLING PHYTOPATHOGENIC FUNGI, INSECTS ROHM AND HAAS COMPANY (US) 1997-06-03 US disclosed
EP-0738716-A2 Dihydropyridazinones and pyridazinones and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 1996-10-23 EP disclosed
US-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 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 (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-20100179149-A1 ARYL ETHER PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 CYP1A2 388/4885METAP2 1351/4885HSD17B1 2677/4885
US-20080293719-A1 Pyridiazinone Derivatives for the Treatment of Tumours MET, RET, ERBB2 CYP1A2 796/4885METAP2 513/4885HSD17B1 3023/4885

“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.