SCHEMBL3997640

SCHEMBL3997640

N#Cc1c[nH]c2sccc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPYD Q12882 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PARP15 Q460N3 2/20 0.35
TNKS2 Q9H2K2 2/20 0.35
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
MCL1 Q07820 4/20 0.34
DYRK1A Q13627 3/20 0.34
LRRK2 Q5S007 1/20 0.33
ERCC1 P07992 1/20 0.33

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
SCHEMBL3069636 0.72 DPYD (0.42) DPYDIMPDH2IMPDH1ALDH1A1PARP1
SCHEMBL3079997 0.72 NEK1 (0.42) DPYDIMPDH2IMPDH1ALDH1A1PARP1
SCHEMBL3359768 0.72 IMPDH2 (0.41) DPYDHTR2AHTR2CHTR2BIMPDH2
SCHEMBL7009976 0.70 HTR2A (0.38) HTR2AHTR2CHTR2BIMPDH2ALDH1A1
SCHEMBL3997496 0.70 DPYD (0.36) DPYDIMPDH2IMPDH1CA1CA2
SCHEMBL7007466 0.69 HTR2A (0.47) HTR2AHTR2CHTR2BALDH1A1PARP15
SCHEMBL2913341 0.69 CSNK2A1 (0.47) ALDH1A1PARP15TNKS2TNKSPARP1
SCHEMBL3993861 0.68 KDM4E (0.46) IMPDH2IMPDH1CA1CA2ALDH1A1
SCHEMBL5010332 0.68 IMPDH2 (0.72) IMPDH2IMPDH1CA1CA2ALDH1A1
SCHEMBL6332699 0.68 ALDH1A1 (0.42) HTR2AHTR2CHTR2BALDH1A1PARP15

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
EP-2066675-A1 PROCESS FOR THE PREPARATION OF 4-HYDROXYTHIENO[2,3-B]PYRIDINE-5-CARBONITRILES Wyeth (US) 2009-06-10 EP disclosed
WO-2008039414-A1 PROCESS FOR THE PREPARATION OF 4-HYDROXYTHIENO[2,3-B]PYRIDINE-5-CARBONITRILES WYETH (US) 2008-04-03 WO disclosed
US-20080076926-A1 Process for the preparation of 4-hydroxythieno[2,3-b]pyridine-5-carbonitriles WYETH 2008-03-27 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-20080076926-A1 Process for the preparation of 4-hydroxythieno[2,3-b]pyridine-5-carbonitriles MAP4K2, MAP4K1, MAP4K3 DPYD 514/4885HTR2A 1395/4885HTR2C 839/4885

“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.