SCHEMBL4744938

SCHEMBL4744938

Cc1cc2ccccc2nc1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
PDE10A Q9Y233 1/20 0.50
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 5/20 0.49
GAA P10253 3/20 0.49
HPGD P15428 2/20 0.46
GLA P06280 2/20 0.46
MAPT P10636 2/20 0.46
ACHE P22303 1/20 0.46
MBNL1 Q9NR56 1/20 0.45
STAT3 P40763 1/20 0.44
NQO2 P16083 1/20 0.42
CYP1A2 P05177 2/20 0.41
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
CHEK1 O14757 1/20 0.39
ABL1 P00519 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39

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
SCHEMBL31314315 1.00 TDP1 (0.53) TDP1PDE10AALDH1A1KDM4EGAA
Quinoline SCHEMBL28278392 0.89 ALDH1A1 (0.52) TDP1PDE10AALDH1A1KDM4EGAA
SCHEMBL18024022 0.81 TDP1 (0.53) TDP1PDE10AALDH1A1KDM4EGAA
SCHEMBL8026750 0.78 ALDH1A1 (0.65) TDP1ALDH1A1KDM4EGAAHPGD
SCHEMBL30824519 0.77 ALDH1A1 (0.49) TDP1ALDH1A1KDM4EGAAHPGD
SCHEMBL3232438 0.77 ALDH1A1 (0.49) TDP1ALDH1A1KDM4EGAAHPGD
SCHEMBL13405536 0.77 ALDH1A1 (0.49) TDP1ALDH1A1KDM4EGAAHPGD
SCHEMBL4961476 0.77 ALDH1A1 (0.58) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL31105792 0.77 ALDH1A1 (0.49) TDP1ALDH1A1KDM4EGAAHPGD
SCHEMBL28326811 0.77 ALDH1A1 (0.49) TDP1ALDH1A1KDM4EGAAHPGD

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
CN-109473198-A Preventing fraudulent use of electricity service entrance cable and its preparation process 江苏亨通电力电缆有限公司 2019-03-15 CN disclosed
CN-104010504-B Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2 negative allosteric modulators, compositions, and uses thereof MERCK SHARP & DOHME CORP. (US) 2016-04-06 CN disclosed
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 US disclosed
WO-2008109613-A1 BENZO[C][2,7]NAPHTHYRIDINE DERIVATIVES, AND THEIR USE AS KINASE INHIBITORS WYETH (US) 2008-09-12 WO 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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 TDP1 863/4885PDE10A 464/4885ALDH1A1 2573/4885

“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.