SCHEMBL7955099

SCHEMBL7955099

Cc1cc2ccnc(C)c2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.41
ALDH1A1 P00352 5/20 0.41
TLR8 Q9NR97 2/20 0.38
KDM4E B2RXH2 4/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 2/20 0.35
MAOA P21397 2/20 0.33
DYRK1A Q13627 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 2/20 0.33
HTR2C P28335 1/20 0.33
ADORA2A P29274 1/20 0.33
UHRF1 Q96T88 1/20 0.32
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32

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
SCHEMBL4413959 0.82 TLR8 (0.37) CYP2A6ALDH1A1TLR8KDM4EHTT
SCHEMBL30454599 0.82 TLR8 (0.37) CYP2A6ALDH1A1TLR8KDM4EHTT
SCHEMBL7397919 0.80 TLR8 (0.36) CYP2A6ALDH1A1TLR8KDM4EHTT
SCHEMBL8267507 0.80 TLR8 (0.58) ALDH1A1TLR8KDM4EMAPTMAOA
SCHEMBL10217272 0.80 CYP2A6 (0.38) CYP2A6TLR8DYRK1AUHRF1CCR1
SCHEMBL12036620 0.79 CYP2A6 (0.37) CYP2A6TLR8NPC1RAB9A
SCHEMBL16650194 0.79 KDM4E (0.40) ALDH1A1TLR8KDM4EHTTSMN1; SMN2
SCHEMBL8291834 0.77 ALDH1A1 (0.37) ALDH1A1TLR8KDM4EHSD17B10MAPT
SCHEMBL4420514 0.74 ALDH1A1 (0.45) CYP2A6ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL10217305 0.72 CYP2A6 (0.33) CYP2A6TLR8

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-8378104-B2 7-aminofuropyridine derivatives OSI Pharmaceuticals, LLC (US) 2013-02-19 US disclosed
US-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2012-02-23 US disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 CYP2A6 893/4885ALDH1A1 2005/4885TLR8 372/4885
US-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES MAP3K5, STK17A, MAPKAPK5 CYP2A6 1912/4885ALDH1A1 490/4885TLR8 2644/4885

“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.