SCHEMBL10035331

SCHEMBL10035331

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
HSD17B10 Q99714 2/20 0.52
ALDH1A1 P00352 3/20 0.51
APP P05067 1/20 0.51
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDR P35968 1/20 0.50
EPHB4 P54760 1/20 0.50
AVPR1A P37288 1/20 0.49
CYP3A4 P08684 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2A6 P11509 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KIF11 P52732 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46

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 0.97 AVPR1A (0.54) KDM4ENPC1RAB9AHSD17B10ALDH1A1
SCHEMBL10035360 0.97 AVPR1A (0.54) KDM4ENPC1RAB9AHSD17B10ALDH1A1
SCHEMBL17223083 0.94 CYP2A6 (0.54) KDM4EHSD17B10ALDH1A1APPAVPR1A
SCHEMBL398821 0.90 AVPR1A (0.56) KDM4EHSD17B10ALDH1A1APPMEN1
SCHEMBL10035319 0.90 AVPR1A (0.56) KDM4EHSD17B10ALDH1A1APPMEN1
SCHEMBL10035330 0.90 AVPR1A (0.56) KDM4EHSD17B10ALDH1A1APPMEN1
SCHEMBL17231888 0.88 CYP11B2 (0.52) ALDH1A1APPMEN1AVPR1ACYP3A4
SCHEMBL10035328 0.85 MKNK1 (0.53) APPGAAKMT2AKDREPHB4
SCHEMBL10035332 0.85 UCHL3 (0.47) KDM4EALDH1A1APPGAAMEN1
SCHEMBL10035357 0.85 OXTR (0.64) KDM4ENPC1RAB9AHSD17B10ALDH1A1

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 KDM4E 3236/4885NPC1 4247/4885RAB9A 2624/4885

“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.