SCHEMBL10035360

SCHEMBL10035360

Cc1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccc(-c3cccnc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.54
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CYP17A1 P05093 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP19A1 P11511 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
APP P05067 1/20 0.49
ALDH1A1 P00352 1/20 0.49
OXTR P30559 1/20 0.49
HPGD P15428 2/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MDM2 Q00987 1/20 0.48
KDR P35968 1/20 0.48
EPHB4 P54760 1/20 0.48

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
SCHEMBL10035317 1.00 AVPR1A (0.54) AVPR1AKDM4EHSD17B10NPC1RAB9A
SCHEMBL10035331 0.97 KDM4E (0.55) AVPR1AKDM4EHSD17B10NPC1RAB9A
SCHEMBL398821 0.94 AVPR1A (0.56) AVPR1AKDM4EHSD17B10CYP17A1CYP3A4
SCHEMBL10035319 0.94 AVPR1A (0.56) AVPR1AKDM4EHSD17B10CYP17A1CYP3A4
SCHEMBL10035330 0.94 AVPR1A (0.56) AVPR1AKDM4EHSD17B10CYP17A1CYP3A4
SCHEMBL17223083 0.91 CYP2A6 (0.54) AVPR1AKDM4EHSD17B10CYP17A1CYP3A4
SCHEMBL10035320 0.86 MKNK1 (0.50) AVPR1AKDM4ECYP17A1CYP3A4CYP19A1
SCHEMBL10035349 0.86 KIF11 (0.66) AVPR1ACYP17A1CYP3A4CYP19A1CYP11B1
SCHEMBL10035335 0.86 AVPR1A (0.49) AVPR1ACYP17A1CYP3A4CYP19A1CYP11B1
SCHEMBL10035350 0.86 OXTR (0.69) AVPR1AKDM4EHSD17B10NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101771-B2 Triazole derivative, and light-emitting element, light-emitting device, and electronic device using triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-01-24 US disclosed
US-8101771-B2 Triazole derivative, and light-emitting element, light-emitting device, and electronic device using triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-01-24 US disclosed
US-20100079066-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-04-01 US disclosed
US-20100079066-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-04-01 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-20100079066-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Triazole Derivative TTI1, TTI2, NLRP3 AVPR1A 3449/4885KDM4E 3236/4885HSD17B10 2975/4885

“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.