SCHEMBL10128552

SCHEMBL10128552

Brc1ccc2ccc(-c3nnc4c5ccccc5ccn34)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.40
MAPT P10636 3/20 0.37
ALDH1A1 P00352 1/20 0.37
PRKDC P78527 3/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
KMT2A Q03164 2/20 0.34
AKT1 P31749 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HSD11B1 P28845 2/20 0.33
OPRD1 P41143 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 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
SCHEMBL515649 0.86 MAPT (0.41) MAPTALDH1A1PRKDCKMT2ARXFP1
SCHEMBL515103 0.85 ALDH1A1 (0.42) MAPTALDH1A1PRKDCRXFP1TP53
SCHEMBL10128549 0.85 MAPT (0.40) MAPTALDH1A1PRKDCKMT2ARXFP1
SCHEMBL10128730 0.85 MAPT (0.37) MAPTALDH1A1PRKDCKMT2AAKT1
SCHEMBL10128551 0.83 ALDH1A1 (0.40) MAPTALDH1A1PRKDCRXFP1TP53
SCHEMBL10128559 0.82 BIRC5 (0.39) MAPTALDH1A1PRKDCKMT2ARXFP1
SCHEMBL10128198 0.81 TUBB4A (0.40) MAPTALDH1A1PRKDCKMT2AAKT1
SCHEMBL10128563 0.80 MAPT (0.35) MAPTALDH1A1PRKDCKMT2ARXFP1
SCHEMBL10128565 0.79 PDK2 (0.33) MAPTALDH1A1PRKDCTUBB4ATUBB
SCHEMBL10128579 0.79 ALDH1A1 (0.32) MAPTALDH1A1PRKDC

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 CYP2A6 1279/4885MAPT 1271/4885ALDH1A1 1032/4885

“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.