SCHEMBL276944

SCHEMBL276944

[O]c1ncc2[nH]cnc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ RXFP1 Q9HBX9 1/20 0.50
▸ CDK2 P24941 2/20 0.46
▸ PAK1 Q13153 1/20 0.44
▸ CCNT1 O60563 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CDK7 P50613 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ CCNH P51946 1/20 0.42
▸ POLA1 P09884 1/20 0.37
▸ DPP4 P27487 1/20 0.33
▸ PNP P00491 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ SCD O00767 2/20 0.32
▸ PDPK1 O15530 1/20 0.31
▸ GDA Q9Y2T3 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL29452971 0.77 ALDH1A1 (0.63) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL29464976 0.74 ALDH1A1 (0.59) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL29776995 0.74 ALDH1A1 (0.59) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL4323519 0.74 ALDH1A1 (0.59) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL7663294 0.74 ALDH1A1 (0.59) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL11486223 0.74 ALDH1A1 (0.59) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL357005 0.74 KDM4E (1.00) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL408916 0.74 ALDH1A1 (0.59) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL375956 0.74 ALDH1A1 (0.59) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL3896 0.74 ALDH1A1 (0.59) ALDH1A1KDM4ERXFP1CDK2PAK1

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 ALDH1A1 3160/4885KDM4E 4422/4885RXFP1 50/4885
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 ALDH1A1 3206/4885KDM4E 4486/4885RXFP1 49/4885
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 ALDH1A1 3234/4885KDM4E 4480/4885RXFP1 48/4885
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 ALDH1A1 3234/4885KDM4E 4480/4885RXFP1 48/4885

“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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