SCHEMBL3421771

SCHEMBL3421771

Cc1nnc(C)n1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.67
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
KDM4E B2RXH2 2/20 0.51
OXTR P30559 1/20 0.49
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
HPGD P15428 1/20 0.45
ATM Q13315 1/20 0.45
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
FKBP1A P62942 1/20 0.44

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
SCHEMBL10189840 0.84 AVPR1A (0.56) AVPR1AMEN1KMT2AALDH1A1TSHR
SCHEMBL9069362 0.84 AVPR1A (0.56) AVPR1AMEN1KMT2AALDH1A1TSHR
SCHEMBL515383 0.84 AVPR1A (0.92) AVPR1AMEN1KMT2AALDH1A1TSHR
SCHEMBL1562739 0.84 AVPR1A (0.56) AVPR1AMEN1KMT2AALDH1A1TSHR
SCHEMBL9299272 0.84 AVPR1A (0.56) AVPR1AMEN1KMT2AALDH1A1TSHR
SCHEMBL19068734 0.84 AVPR1A (0.56) AVPR1AMEN1KMT2AALDH1A1TSHR
SCHEMBL17153776 0.83 KDM4E (0.59) AVPR1AMEN1KMT2AALDH1A1TSHR
SCHEMBL29406171 0.83 AVPR1A (0.89) AVPR1AMEN1KMT2AALDH1A1TSHR
SCHEMBL30266597 0.83 AVPR1A (0.89) AVPR1AMEN1KMT2AALDH1A1TSHR
SCHEMBL7760984 0.81 AVPR1A (0.53) AVPR1AMEN1KMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10454042-B2 Organic electroluminescence device UDC IRELAND LIMITED (IE) 2019-10-22 US disclosed
US-9789089-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2017-10-17 US disclosed
US-9640769-B2 Organic electric field light emitting element and production therefor MITSUBISHI CHEMICAL CORPORATION (JP) 2017-05-02 US disclosed
US-9640769-B2 Organic electric field light emitting element and production therefor MITSUBISHI CHEMICAL CORPORATION (JP) 2017-05-02 US disclosed
EP-2083819-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2017-02-22 EP disclosed
EP-2943487-B1 5-MEMBERED HETEROARYLS AND THEIR USE AS ANTIVIRAL AGENTS GILEAD SCIENCES INC (US) 2016-11-16 EP disclosed
US-20160268515-A1 TRIAZOLE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE WITH THE USE OF TRIAZOLE DERIVATIVE SEMICONDUCTOR ENERGY LAB (JP) 2016-09-15 US disclosed
US-20160233445-A1 ORGANIC ELECTRIC FIELD LIGHT EMITTING ELEMENT AND PRODUCTION THEREFOR MITSUBISHI CHEMICAL CORPORATION (JP) 2016-08-11 US disclosed
US-20160233445-A1 ORGANIC ELECTRIC FIELD LIGHT EMITTING ELEMENT AND PRODUCTION THEREFOR MITSUBISHI CHEMICAL CORPORATION (JP) 2016-08-11 US disclosed
US-9397299-B2 Triazole derivative, and light-emitting element, light-emitting device, and electronic device with the use of triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-07-19 US disclosed
US-7777043-B2 Compound, charge transporting material and organic electroluminescent element MITSUBISHI CHEMICAL CORPORATION (JP) 2010-08-17 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-20090302742-A1 Compound for Use in Organic Electroluminescent Device and Organic Electroluminescent Device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2009-12-10 US disclosed
US-20090160324-A1 Triazole Derivative, Light-Emitting Element, Light-Emitting Device, and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-06-25 US disclosed
US-20090066238-A1 Electroluminescent materials grafted with charge transport moieties having graded ionization potential or electrophilic property and their application in light-emitting diodes NATIONAL TSING HUA UNIVERSITY (TW) 2009-03-12 US disclosed
US-20090066238-A1 Electroluminescent materials grafted with charge transport moieties having graded ionization potential or electrophilic property and their application in light-emitting diodes NATIONAL TSING HUA UNIVERSITY (TW) 2009-03-12 US disclosed
US-20090066223-A1 ORGANIC ELECTRIC FIELD LIGHT EMITTING ELEMENT AND PRODUCTION THEREFOR MITSUBISHI CHEMICAL CORPORATION (JP) 2009-03-12 US disclosed
US-20080286607-A1 Triazole derivative, and light-emitting device, and electronic device with the use of triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-11-20 US disclosed
US-7220819-B2 Electroluminescent conjugated polymers containing phosphorescent moieties and the application thereof in LED NATIONAL TSING HUA UNIVERSITY (TW) 2007-05-22 US disclosed
US-7220819-B2 Electroluminescent conjugated polymers containing phosphorescent moieties and the application thereof in LED NATIONAL TSING HUA UNIVERSITY (TW) 2007-05-22 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 (5 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-20090302742-A1 Compound for Use in Organic Electroluminescent Device and Organic Electroluminescent Device LAGE3, ICMT, PPOX AVPR1A 3538/4885MEN1 3129/4885KMT2A 3809/4885
US-20090160324-A1 Triazole Derivative, Light-Emitting Element, Light-Emitting Device, and Electronic Device GRIN3A, TEAD2, TBL3 AVPR1A 2200/4885MEN1 3975/4885KMT2A 1412/4885
US-20160268515-A1 TRIAZOLE DERIVATIVE, AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE WITH THE USE OF TRIAZOLE DERIVATIVE TYR, TH, YEATS4 AVPR1A 4243/4885MEN1 3934/4885KMT2A 1412/4885
US-10454042-B2 Organic electroluminescence device EML4, ELOC, ORC3 AVPR1A 4017/4885MEN1 2759/4885KMT2A 1449/4885
US-20080286607-A1 Triazole derivative, and light-emitting device, and electronic device with the use of triazole derivative TYR, TH, CYP3A4 AVPR1A 4259/4885MEN1 3872/4885KMT2A 1290/4885

“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.