SCHEMBL10035334

SCHEMBL10035334

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
CYP2A6 P11509 1/20 0.46
KDR P35968 3/20 0.44
EPHB4 P54760 1/20 0.44
GAA P10253 1/20 0.42
APP P05067 1/20 0.41
TEK Q02763 2/20 0.41
AVPR1A P37288 1/20 0.41
MAPK1 P28482 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HIF1A Q16665 1/20 0.41
ABL1 P00519 1/20 0.41
LMNA P02545 1/20 0.41
RIN1 Q13671 1/20 0.41
AKT1 P31749 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL10035347 0.97 MKNK1 (0.47) MKNK1MKNK2CYP2A6KDREPHB4
SCHEMBL10035322 0.97 MKNK1 (0.47) MKNK1MKNK2CYP2A6KDREPHB4
SCHEMBL10035328 0.85 MKNK1 (0.53) MKNK1MKNK2CYP2A6KDREPHB4
SCHEMBL12413787 0.85 MKNK1 (0.61) MKNK1MKNK2CYP2A6KDREPHB4
SCHEMBL17223083 0.85 CYP2A6 (0.54) MKNK1MKNK2CYP2A6APPAVPR1A
SCHEMBL133261 0.84 AVPR1A (0.59) AVPR1A
SCHEMBL10035356 0.83 MKNK1 (0.50) MKNK1MKNK2CYP2A6KDREPHB4
SCHEMBL10035320 0.83 MKNK1 (0.50) MKNK1MKNK2CYP2A6KDRGAA
SCHEMBL10035348 0.83 MKNK1 (0.50) MKNK1MKNK2CYP2A6KDRGAA
SCHEMBL10035332 0.83 UCHL3 (0.47) MKNK1MKNK2CYP2A6GAAAPP

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 MKNK1 2056/4885MKNK2 1522/4885CYP2A6 2365/4885

“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.