SCHEMBL3995643

SCHEMBL3995643

N#Cc1cnc2sc(Br)cc2c1O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.33
ERBB2 P04626 3/20 0.33
MEN1 O00255 1/20 0.32
TTR P02766 1/20 0.32
ALB P02768 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.31
PRKCQ Q04759 2/20 0.31
PRKCD Q05655 2/20 0.31
MAP2K1 Q02750 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
LYN P07948 1/20 0.30

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
SCHEMBL3993667 0.81 CSNK1A1 (0.34) EGFRHTTPRKCQPRKCDALDH1A1
SCHEMBL4947538 0.81 EGFR (0.32) EGFRERBB2TTRALBPRKCQ
SCHEMBL31097392 0.74 EGFR (0.33) EGFRERBB2HTT
SCHEMBL7484421 0.71 KDM4E (0.37) EGFRMEN1KMT2AHTTKDM4E
SCHEMBL31674353 0.70 AURKA (0.37) HTTPRKCQMAP2K1KDM4EALDH1A1
SCHEMBL3998036 0.70 AURKA (0.37) HTTPRKCQMAP2K1KDM4EALDH1A1
SCHEMBL13976998 0.68 EGFR (0.46) EGFRERBB2HTTMAPT
SCHEMBL29775134 0.68 EGFR (0.46) EGFRERBB2HTTMAPT
SCHEMBL14373172 0.68 LRRK2 (0.34) EGFRERBB2HTT
SCHEMBL3088035 0.68 ALDH1A1 (0.37) HTTALDH1A1

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
CN-101573364-A Process for the preparation of 4-hydroxythieno [2, 3-b ] pyridine-5-carbonitriles WYETH CORP (US) 2009-11-04 CN disclosed
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 EGFR 1467/4885ERBB2 320/4885MEN1 1879/4885

“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.