SCHEMBL136105

SCHEMBL136105

CC(c1nc(N)nc(N)n1)n1ccnc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
ADORA2A P29274 5/20 0.39
ADORA1 P30542 3/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2B P29275 2/20 0.39
POLB P06746 1/20 0.39
PRKACA P17612 2/20 0.35
AURKA O14965 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ESR1 P03372 1/20 0.35
TNK2 Q07912 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
KDR P35968 7/20 0.34
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34

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
SCHEMBL28569800 0.82 CYP17A1 (0.36) BRD4ADORA2AADORA1ADORA3ADORA2B
SCHEMBL28559977 0.80 CYP17A1 (0.39) BRD4ADORA2AADORA1ADORA3ADORA2B
SCHEMBL1695645 0.79 TSHR (0.44) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL28560025 0.78 CYP17A1 (0.41) ADORA2AADORA1ADORA3ADORA2BESR1
SCHEMBL9444404 0.78 BRD4 (0.47) BRD4PRKACAESR1RAB9ANPC1
SCHEMBL28566843 0.77 PDE4B (0.41) ADORA2AADORA1ADORA3ADORA2BESR1
SCHEMBL10364019 0.77 BRD4 (0.44) BRD4PRKACAESR1RAB9ANPC1
SCHEMBL28913414 0.76 PDE4B (0.40) ESR1NR1H3
Hydrochloric Acid SCHEMBL10366280 0.75 BRD4 (0.43) BRD4PRKACAESR1RAB9ANPC1
SCHEMBL11338052 0.74 TSHR (0.33) TNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1125960-B1 A latent combination compound and a latent ammonium salt from an epoxy resin curing agent and a flame retardant, epoxy resin systems or -products made therefrom SCHILL & SEILACHER STRUKTOL AG (DE) 2005-05-11 EP claimed
US-6555227-B2 Heat curing; adhesives SCHILL & SEILACHER (GMBH & CO.) (DE) 2003-04-29 US claimed
US-20010014706-A1 Latent combination compounds and latent ammonium salts comprising epoxide resin curing agents and flame-protection agents as well as epoxide resin systems and products prepared from them SCHILL & SEILACHER (GMBH & CO.) 2001-08-16 US claimed
EP-2432789-B1 DOPO DERIVATIVE FLAME RETARDANTS ALBEMARLE CORP (US) 2017-04-26 EP disclosed
US-9522927-B2 DOPO derivative flame retardants ALBEMARLE CORPORATION (US) 2016-12-20 US disclosed
US-20160060281-A1 BUTADIEN2,3-DIYL LINKED DI-DOPO DERIVATIVES AS FLAME RETARDANTS ANGELL SCOTT EDWARD (US) 2016-03-03 US disclosed
EP-2432790-B1 DOPO-DERIVED FLAME RETARDANT AND EPOXY RESIN COMPOSITION ALBEMARLE CORP (US) 2015-07-08 EP disclosed
US-20140357885-A1 DOPO DERIVATIVE FLAME RETARDANTS CERBERUS BUSINESS FINANCE, LLC 2014-12-04 US disclosed
US-8536256-B2 DOPO-derived flame retardant and epoxy resin composition ALBEMARLE CORPORATION (US) 2013-09-17 US disclosed
US-20120055705-A1 DOPO-DERIVED FLAME RETARDANT AND EPOXY RESIN COMPOSITION ALBEMARLE CORPORATION (US) 2012-03-08 US disclosed
EP-1101783-B1 Process for the fabrication of resin molds HUNTSMAN ADV MAT SWITZERLAND (CH) 2004-12-22 EP disclosed
EP-0129799-A2 Heat-curable reaction resin compositions SIEMENS AKTIENGESELLSCHAFT (DE) 1985-01-02 EP disclosed
EP-0129800-A2 Heat-curable reaction resin composition SIEMENS AKTIENGESELLSCHAFT (DE) 1985-01-02 EP disclosed
EP-0129787-A2 Process for the production of moulding compounds SIEMENS AKTIENGESELLSCHAFT (DE) 1985-01-02 EP disclosed
EP-0012566-B1 ELECTRIC WINDINGS AND PRODUCTION THEREOF Hitachi, Ltd. (JP) 1983-06-22 EP disclosed
US-4269894-A AS BINDERS FOR THE MULTILAYERED INSULATION; IMPREGNATING WITH A VARNISH OF EPOXY-ISOCYANATE RESIN; WATERPROOFING HITACHI, LTD. (JP) 1981-05-26 US disclosed
US-4222802-A SILICONE RESIN INSULATOR, IMPREGNATING WITH VARNISH OF AN EPOXY COMPOUND AND AN ISOCYANATE COMPOUND, CURING HITACHI, LTD. (JP) 1980-09-16 US disclosed
EP-0012566-A1 Electric windings and production thereof Hitachi, Ltd. (JP) 1980-06-25 EP disclosed
US-4130546-A EPOXY, ISOCYANATE, CURING AGNET, MODIFIED BUTADIENE POLYMER HITACHI CHEMICAL COMPANY, LTD. (JP) 1978-12-19 US disclosed
US-4128531-A EPOXY, ISOCYANATE, CURING AGENT, HYDROXYLATED BUTADIENE POLYMER HITACHI CHEMICAL COMPANY, LTD. (JP) 1978-12-05 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 (3 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-20120055705-A1 DOPO-DERIVED FLAME RETARDANT AND EPOXY RESIN COMPOSITION FLAD1, P2RY10, P2RY11 BRD4 3079/4885ADORA2A 1159/4885ADORA1 855/4885
US-20140357885-A1 DOPO DERIVATIVE FLAME RETARDANTS ACAD10, FFAR3, PAOX BRD4 3055/4885ADORA2A 1078/4885ADORA1 2658/4885
US-20160060281-A1 BUTADIEN2,3-DIYL LINKED DI-DOPO DERIVATIVES AS FLAME RETARDANTS DUOX2, FFAR2, BBOX1 BRD4 2060/4885ADORA2A 1223/4885ADORA1 3254/4885

“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.