SCHEMBL3248902

SCHEMBL3248902

N#Cc1ncccc1[C]=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.41
CYP11B1 P15538 1/20 0.39
LRRK2 Q5S007 1/20 0.38
ALDH1A1 P00352 5/20 0.36
HPGD P15428 5/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
PAX8 Q06710 1/20 0.36
ELANE P08246 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL18611 0.85 LRRK2 (0.46) PLCG1CYP11B1LRRK2ALDH1A1HPGD
SCHEMBL29533314 0.85 LRRK2 (0.46) PLCG1CYP11B1LRRK2ALDH1A1HPGD
SCHEMBL6385617 0.85 TDP1 (0.33) PLCG1ALDH1A1MAPTNPSR1LMNA
SCHEMBL972357 0.83 LRRK2 (0.42) PLCG1CYP11B1LRRK2ALDH1A1HPGD
SCHEMBL167824 0.79 PLCG1 (0.41) PLCG1CYP11B1LRRK2ALDH1A1HPGD
SCHEMBL30320148 0.79 PLCG1 (0.41) PLCG1CYP11B1LRRK2ALDH1A1HPGD
Pyrrole SCHEMBL28114401 0.75 LRRK2 (0.42) PLCG1CYP11B1LRRK2ALDH1A1HPGD
SCHEMBL323572 0.74
SCHEMBL16011703 0.73 PLCG1 (0.38) PLCG1CYP11B1LRRK2ALDH1A1HPGD
SCHEMBL12754871 0.71 GRM5 (0.46) PLCG1CYP11B1LRRK2ALDH1A1HPGD

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
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 PLCG1 1929/4885CYP11B1 463/4885LRRK2 659/4885

“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.