SCHEMBL277779

SCHEMBL277779

[O]c1ccc2cn[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.59
METAP2 P50579 3/20 0.59
DYRK1A Q13627 2/20 0.59
MAPT P10636 2/20 0.59
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
PKM P14618 1/20 0.59
HTT P42858 1/20 0.59
KMT2A Q03164 1/20 0.59
CYP3A4 P08684 2/20 0.55
LMNA P02545 1/20 0.55
ALOX15 P16050 1/20 0.55
FGFR1 P11362 6/20 0.53
FGFR2 P21802 2/20 0.52
FGFR3 P22607 1/20 0.52
MAPK1 P28482 1/20 0.50
HSP90AA1 P07900 1/20 0.50
IDO1 P14902 1/20 0.50
CDK2 P24941 1/20 0.50
ALDH1A1 P00352 2/20 0.49

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
SCHEMBL277776 0.83 ROCK2 (0.59) NOS1METAP2DYRK1AMAPTKDM4E
SCHEMBL12354 0.74 KDM4E (0.59) NOS1METAP2DYRK1AMAPTKDM4E
SCHEMBL20060303 0.74 KDM4E (0.59) NOS1METAP2DYRK1AMAPTKDM4E
SCHEMBL1141578 0.74 NOS1 (0.70) NOS1METAP2DYRK1AMAPTKDM4E
SCHEMBL7216720 0.74 NOS1 (0.59) NOS1METAP2DYRK1AMAPTKDM4E
SCHEMBL24046742 0.74 NOS1 (0.59) NOS1METAP2DYRK1AMAPTKDM4E
SCHEMBL9529035 0.74 NOS1 (0.59) NOS1METAP2DYRK1AMAPTKDM4E
SCHEMBL5902 0.74 NOS1 (1.00) NOS1METAP2DYRK1AMAPTKDM4E
SCHEMBL177260 0.74 MAPT (1.00) NOS1METAP2DYRK1AMAPTKDM4E
SCHEMBL177086 0.74 FGFR1 (0.72) NOS1METAP2DYRK1AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115341-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-08-25 US disclosed
EP-1636192-B9 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL IND LTD (JP) 2015-07-01 EP disclosed
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2014-02-20 US disclosed
EP-1636192-B1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL IND LTD (JP) 2014-01-15 EP disclosed
US-8552031-B2 3-ethylidenehydrazino substituted heterocyclic compounds as thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-08 US disclosed
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2013-01-10 US disclosed
US-8318796-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-8134013-B2 Amide compound and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-13 US disclosed
US-8093251-B2 Nitrogen-containing heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed
EP-1947101-A1 HYDRAZIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR Nissan Chemical Industries, Ltd. (JP) 2008-07-23 EP disclosed
US-7351841-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-04-01 US disclosed
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2008-01-31 US disclosed
EP-1845090-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR Nissan Chemical Industries, Ltd. (JP) 2007-10-17 EP disclosed
EP-1819692-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2007-08-22 EP disclosed
CN-1798739-A 3-alkylidenehydrazino substituted heteroaryl compounds as thrombopoietin receptor activators NISSAN CHEMICAL IND LTD (JP) 2006-07-05 CN disclosed
WO-2006062240-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-15 WO disclosed
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2006-05-04 US disclosed
EP-1636192-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2006-03-22 EP disclosed
WO-2004108683-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-16 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 (4 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-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NR2C2, ROR1, NR0B2 NOS1 1363/4885METAP2 2799/4885DYRK1A 2850/4885
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 NOS1 1328/4885METAP2 2856/4885DYRK1A 2888/4885
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 NOS1 1342/4885METAP2 2900/4885DYRK1A 2916/4885
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 NOS1 1342/4885METAP2 2900/4885DYRK1A 2916/4885

“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.