SCHEMBL657502

SCHEMBL657502

CC1(C)OB(c2c[nH]c3cc(C#N)ccc23)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
SLC6A4 P31645 10/20 0.43
GUSB P08236 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL1028616 0.81 XDH (0.38) SLC6A4
SCHEMBL30892212 0.81 XDH (0.38) SLC6A4
SCHEMBL3197383 0.77 CDK4 (0.49)
SCHEMBL20595125 0.77 IMPDH2 (0.30)
SCHEMBL2111365 0.74 ATM (0.44) SLC6A4SLC6A2SLC6A3BCHE
SCHEMBL29414051 0.74 ATM (0.44) SLC6A4SLC6A2SLC6A3BCHE
SCHEMBL30182153 0.74 HTR1D (0.42) IDO1SLC6A4SLC6A3
SCHEMBL16924038 0.73 ALDH1A1 (0.34) SLC6A4SLC6A2SLC6A3
SCHEMBL14895853 0.73 CYP2A6 (0.35)
SCHEMBL931715 0.73 CYP2A6 (0.35)

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
CN-116693538-A Pyrazolopyrimidine derivative, and preparation method and application thereof 成都苑东生物制药股份有限公司 2023-09-05 CN disclosed
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

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-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES MAP3K5, STK17A, MAPKAPK5 IDO1 1522/4885SLC6A4 3454/4885GUSB 4240/4885

“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.