SCHEMBL13100680

SCHEMBL13100680

Cc1cccc2c1[nH]c1ccncc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.62
ACHE P22303 4/20 0.58
PARP1 P09874 2/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 4/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
TSHR P16473 2/20 0.51
NFKB1 P19838 2/20 0.51
APEX1 P27695 2/20 0.51
MAPK1 P28482 2/20 0.51
BLM P54132 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HSD17B10 Q99714 2/20 0.51

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
SCHEMBL13701001 0.86 KIF11 (0.62) KIF11ACHEPARP1ALDH1A1MAPT
SCHEMBL23098918 0.79 ACHE (0.58) KIF11ACHEPARP1ALDH1A1MAPT
SCHEMBL29412284 0.77 KIF11 (1.00) KIF11ALDH1A1MAPTKDM4EHPGD
SCHEMBL27915 0.77 KIF11 (1.00) KIF11ALDH1A1MAPTKDM4EHPGD
SCHEMBL11981463 0.77 MAPT (0.58) ACHEPARP1ALDH1A1MAPTKDM4E
SCHEMBL13100681 0.76 ACHE (0.58) KIF11ACHEPARP1ALDH1A1MAPT
SCHEMBL26179662 0.76 KIF11 (0.96) KIF11ALDH1A1MAPTKDM4EHPGD
Ammonia Solution, Strong SCHEMBL29136207 0.76 KIF11 (0.96) KIF11ALDH1A1MAPTKDM4EHPGD
Iodide SCHEMBL28876323 0.76 KIF11 (0.96) KIF11ALDH1A1MAPTKDM4EHPGD
SCHEMBL4948680 0.75 KIF11 (0.56) KIF11ALDH1A1MAPTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200295266-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2020-09-17 US disclosed
US-20100256379-A1 ANTI-VIRAL AGENT CONTAINING HETEROCYCLIC AROMATIC COMPOUND AS ACTIVE INGREDIENT KAGOSHIMA UNIVERSITY 2010-10-07 US disclosed
US-20100256379-A1 ANTI-VIRAL AGENT CONTAINING HETEROCYCLIC AROMATIC COMPOUND AS ACTIVE INGREDIENT KAGOSHIMA UNIVERSITY 2010-10-07 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 (2 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-20100256379-A1 ANTI-VIRAL AGENT CONTAINING HETEROCYCLIC AROMATIC COMPOUND AS ACTIVE INGREDIENT H1-10, MAVS, HNRNPH3 KIF11 3687/4885ACHE 3302/4885PARP1 2137/4885
US-20200295266-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, LEF1, CYP1A1 KIF11 3818/4885ACHE 275/4885PARP1 992/4885

“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.