SCHEMBL10128786

SCHEMBL10128786

Ic1ccc(-c2nnc3c4cc(-c5ccccc5)ccc4ccn23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
POLB P06746 2/20 0.36
HTR6 P50406 2/20 0.35
TSHR P16473 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
THRB P10828 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
FLT3 P36888 1/20 0.33
AVPR1A P37288 1/20 0.33
ABL1 P00519 1/20 0.33
PDGFRA P16234 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK7 P50613 1/20 0.33
BTK Q06187 1/20 0.33
MAP4K2 Q12851 1/20 0.33
AURKB Q96GD4 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33

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
SCHEMBL10128599 0.87 MAPK1 (0.40) HSD11B1POLBHTR6TSHRNPC1
SCHEMBL10128731 0.86 MAPT (0.40) POLBTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL10128718 0.85 MAPT (0.41) POLBTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL10128759 0.84 MAPT (0.34) HSD11B1TSHRNPC1SMN1; SMN2THRB
SCHEMBL10128736 0.83 ALDH1A1 (0.37) HSD11B1POLBTSHRNPC1RAB9A
SCHEMBL10128327 0.82 KDM4E (0.39) HSD11B1POLBHTR6TSHRNPC1
SCHEMBL2853941 0.78 POLB (0.47) POLBTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL10128730 0.78 MAPT (0.37) HSD11B1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL10128782 0.77 TSHR (0.40) HSD11B1POLBTSHRNPC1RAB9A
SCHEMBL10128242 0.77 HSD11B1 (0.38) HSD11B1POLBTSHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034486-B2 Triazole derivative, heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD (JP) 2015-05-19 US disclosed
US-9034486-B2 Triazole derivative, heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD (JP) 2015-05-19 US disclosed
WO-2012017842-A1 TRIAZOLE DERIVATIVE, HETEROCYCLIC COMPOUND, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-09 WO disclosed
US-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-02-02 US disclosed
US-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-02-02 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-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device HTR3D, KCNQ4, KCNQ3 HSD11B1 3797/4885POLB 3317/4885HTR6 511/4885

“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.