SCHEMBL10035328

SCHEMBL10035328

CCc1ccc(-c2nnc(-c3ccc(CC)cc3)n2-c2ccc(-c3cccnc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
CYP2A6 P11509 1/20 0.49
HIF1A Q16665 1/20 0.47
GAA P10253 1/20 0.47
KDR P35968 2/20 0.46
EPHB4 P54760 1/20 0.46
MAPK1 P28482 1/20 0.46
ABL1 P00519 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
RIN1 Q13671 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.45
AVPR1A P37288 1/20 0.44
MAPT P10636 1/20 0.44
APP P05067 1/20 0.44
TEK Q02763 1/20 0.44
CYP3A4 P08684 1/20 0.43

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
SCHEMBL10035320 0.97 MKNK1 (0.50) MKNK1MKNK2CYP2A6HIF1AGAA
SCHEMBL10035348 0.97 MKNK1 (0.50) MKNK1MKNK2CYP2A6HIF1AGAA
SCHEMBL10035356 0.89 MKNK1 (0.50) MKNK1MKNK2CYP2A6HIF1AGAA
SCHEMBL17223083 0.88 CYP2A6 (0.54) MKNK1MKNK2CYP2A6LMNAHPGD
SCHEMBL10035345 0.87 HSD11B1 (0.56) MKNK1MKNK2CYP2A6HIF1AKDR
SCHEMBL10035336 0.87 HSD11B1 (0.49) MKNK1MKNK2CYP2A6KDRMAPK1
SCHEMBL10035323 0.87 HSD11B1 (0.49) MKNK1MKNK2CYP2A6KDRMAPK1
SCHEMBL10035331 0.85 KDM4E (0.55) MKNK1MKNK2CYP2A6GAAKDR
SCHEMBL10035334 0.85 MKNK1 (0.49) MKNK1MKNK2CYP2A6HIF1AGAA
SCHEMBL398821 0.85 AVPR1A (0.56) MKNK1MKNK2CYP2A6KMT2AHPGD

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.