SCHEMBL3999985

SCHEMBL3999985

Cc1sc2[nH]cc(C#N)c(=O)c2c1C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPYD Q12882 1/20 0.36
PDPK1 O15530 1/20 0.35
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MCL1 Q07820 1/20 0.31

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
SCHEMBL4001516 0.77 CHUK (0.38) PDPK1ALDH1A1
SCHEMBL3991545 0.74 ERCC5 (0.36) DPYDALDH1A1POLBKMT2ATDP1
SCHEMBL3999236 0.72 KDM5A (0.34) DPYDMCL1
SCHEMBL3997496 0.71 DPYD (0.36) DPYDALDH1A1MCL1
SCHEMBL15850383 0.66 DYRK1A (0.36) DPYDALDH1A1
SCHEMBL4942622 0.65 MCL1 (0.35) DPYDMCL1
SCHEMBL3996464 0.65 TMIGD3 (0.39) DPYDALDH1A1POLB
SCHEMBL16201663 0.63 PDPK1 (0.33) PDPK1
SCHEMBL3997640 0.63 DPYD (0.38) DPYDALDH1A1KMT2AMCL1
SCHEMBL15850393 0.62 IMPDH2 (0.39) DPYDMCL1

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 514/4885PDPK1 121/4885ALDH1A1 3947/4885

“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.