SCHEMBL136104

SCHEMBL136104

Nc1nc(N)nc(CCn2ccnc2-c2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
ESR1 P03372 1/20 0.54
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
HIF1A Q16665 1/20 0.44
PLAA Q9Y263 1/20 0.42
ALPG P10696 1/20 0.41
PDE6D O43924 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL10930967 0.91 TSHR (0.53) TSHRESR1CYP3A4CYP2C19CYP2C9
SCHEMBL27546383 0.79 ESR1 (0.62) ESR1CYP3A4CYP2C19CYP2C9HIF1A
SCHEMBL1695647 0.77 TSHR (1.00) TSHRPLAAALPGCA12CA1
SCHEMBL28729581 0.77 TSHR (0.48) TSHRNPC1RAB9ASMN1; SMN2POLB
SCHEMBL1306747 0.77 ESR1 (0.69) TSHRESR1CYP3A4CYP2C19CYP2C9
SCHEMBL7095574 0.76 ESR1 (0.68) TSHRESR1CYP3A4CYP2C19CYP2C9
SCHEMBL17743804 0.75 ESR1 (0.51) ESR1CYP3A4CYP2C19CYP2C9HIF1A
Hydrochloric Acid SCHEMBL10366282 0.75 ESR1 (0.67) TSHRESR1CYP3A4CYP2C19CYP2C9
SCHEMBL462620 0.74 ESR1 (0.60) TSHRESR1CYP3A4CYP2C19CYP2C9
SCHEMBL9444420 0.73 ESR1 (0.64) TSHRESR1CYP3A4CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432790-A1 DOPO-DERIVED FLAME RETARDANT AND EPOXY RESIN COMPOSITION Albemarle Corporation (US) 2012-03-28 EP claimed
WO-2010135393-A1 DOPO-DERIVED FLAME RETARDANT AND EPOXY RESIN COMPOSITION ALBEMARLE CORPORATION (US) 2010-11-25 WO claimed
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
EP-1125960-A2 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 GmbH & Co. (DE) 2001-08-22 EP 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
US-4501689-A CONTAINING PYRIDINE OR IMIDAZOLE MODIFIED 5-TRIAZINE TAMURA KAKEN CO., LTD. (JP) 1985-02-26 US claimed
CN-114409639-A Imidazole triazine isocyanuric acid latent curing agent and synthesis method and application thereof 宁夏倬昱新材料科技有限公司 2022-04-29 CN disclosed
CN-114409639-A Imidazole triazine isocyanuric acid latent curing agent and synthesis method and application thereof 宁夏倬昱新材料科技有限公司 2022-04-29 CN disclosed
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
EP-0129800-A2 Heat-curable reaction resin composition 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 (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-20160060281-A1 BUTADIEN2,3-DIYL LINKED DI-DOPO DERIVATIVES AS FLAME RETARDANTS DUOX2, FFAR2, BBOX1 TSHR 2589/4885ESR1 4056/4885CYP3A4 2000/4885

“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.