SCHEMBL10128599

SCHEMBL10128599

Brc1ccc(-c2nnc3c4cc(-c5ccccc5)ccc4ccn23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
KDM4E B2RXH2 2/20 0.37
NR1H2 P55055 3/20 0.36
NR1H3 Q13133 3/20 0.36
HSD11B1 P28845 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL10128786 0.87 HSD11B1 (0.36) MAPK1ALDH1A1KMT2ARXFP1NPC1
SCHEMBL10128549 0.86 MAPT (0.40) MAPK1ALDH1A1MEN1KMT2ARXFP1
SCHEMBL515649 0.85 MAPT (0.41) MAPK1ALDH1A1MEN1KMT2ARXFP1
SCHEMBL10128570 0.84 NPC1 (0.39) MAPK1ALDH1A1MEN1KMT2ARXFP1
SCHEMBL10128559 0.83 BIRC5 (0.39) ALDH1A1MEN1KMT2ARXFP1NPC1
SCHEMBL10128327 0.82 KDM4E (0.39) ALDH1A1MEN1KMT2ARXFP1NPC1
SCHEMBL2853941 0.78 POLB (0.47) MAPK1ALDH1A1KMT2ARXFP1NPC1
SCHEMBL10128552 0.78 CYP2A6 (0.40) MAPK1ALDH1A1KMT2ARXFP1RAB9A
SCHEMBL10128601 0.77 NPC1 (0.40) MAPK1ALDH1A1MEN1KMT2ARXFP1
SCHEMBL10128242 0.77 HSD11B1 (0.38) ALDH1A1MEN1KMT2ARXFP1NPC1

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 MAPK1 2299/4885ALDH1A1 1032/4885MEN1 3598/4885

“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.