SCHEMBL3999968

SCHEMBL3999968

CCc1cc2c(Cl)c(C#N)cnc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELE P16581 4/20 0.51
VCAM1 P19320 4/20 0.51
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
TMIGD3 P0DMS9 1/20 0.42
ADORA1 P30542 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 3/20 0.38
TSHR P16473 2/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
LMNA P02545 2/20 0.37
HRH4 Q9H3N8 1/20 0.37
HTT P42858 4/20 0.36
ICAM1 P05362 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL14873275 0.84 SELE (0.45) SELEVCAM1CYP1A2CYP2C9TMIGD3
SCHEMBL13620006 0.84 SELE (0.45) SELEVCAM1CYP1A2CYP2C9TMIGD3
SCHEMBL21708099 0.82 MEN1 (0.43) MEN1KMT2A
SCHEMBL3992555 0.80 CSNK1A1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL3995602 0.80 ADORA1 (0.45) ADORA1ALDH1A1LMNA
SCHEMBL4947940 0.80 CSNK1A1 (0.36) ALDH1A1
SCHEMBL3996010 0.77 CYP2A6 (0.35) ALDH1A1RAB9A
SCHEMBL3993667 0.77 CSNK1A1 (0.34) ALDH1A1HTT
SCHEMBL30727714 0.77 CYP2A6 (0.35) ALDH1A1RAB9A
SCHEMBL4899327 0.76 PRKCQ (0.38) SMN1; SMN2ALDH1A1KDM4ETSHRNPC1

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 SELE 4867/4885VCAM1 4649/4885CYP1A2 1824/4885

“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.