SCHEMBL4892667

SCHEMBL4892667

COC(=O)CCCc1cc2c(=O)c(C#N)c[nH]c2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NTRK1 P04629 1/20 0.33
TNF P01375 1/20 0.32
KAT2B Q92831 3/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL4899327 0.70 PRKCQ (0.38) HPGDALDH1A1TSHRNPC1TP53
SCHEMBL3995033 0.69 HPGD (0.39) HPGDALDH1A1MAPTKDM4EGAA
SCHEMBL4942622 0.67 MCL1 (0.35)
SCHEMBL12121409 0.64 PFKFB2 (0.47) HPGDALDH1A1TSHRNPC1TP53
SCHEMBL4837680 0.62 TSHR (0.53) HPGDALDH1A1TSHRNPC1TP53
SCHEMBL4903733 0.62 HPGD (0.58) HPGDALDH1A1TSHRHSD17B10KAT2B
SCHEMBL14177816 0.60 TSHR (0.45) HPGDALDH1A1TSHRHSD17B10MAPT
SCHEMBL17203308 0.59 TRPV1 (0.60) HPGDALDH1A1TSHRHSD17B10MAPT
SCHEMBL7474007 0.59 HPGD (0.58) HPGDALDH1A1TSHRHSD17B10KAT2B
SCHEMBL13838136 0.59 HPGD (0.58) HPGDALDH1A1TSHRHSD17B10MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070913-A1 Thieno [ 3,2-b] pyridine-6-carbonitriles and thieno [2,3-b] pyridine-5-carbonitriles as protein kinase inhibitors BOSCHELLI DIANE H 2008-03-20 US disclosed
US-7276519-B2 Thieno[3,2-b]pyridine-6-carbonitriles and thieno[2,3-b]pyridine-5-carbonitriles as protein kinase inhibitors WYETH (US) 2007-10-02 US disclosed
US-6987116-B2 Thieno[3,2-b]pyridine-6-carbonitriles and thieno[2,3-b]pyridine-5-carbonitriles as protein kinase inhibitors WYETH (US) 2006-01-17 US disclosed
EP-1565474-A2 THIENO[3,2-B]PYRIDINE-6-CARBONITRILES AND THIENO[2,3-B]PYRIDINE-5-CARBONITRILES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2005-08-24 EP disclosed
WO-2004048386-A9 THIENO[3,2-b]PYRIDINE-6-CARBONITRILES AND THIENO[2,3-b]PYRIDINE-5-CARBONITRILES AS PROTEIN KINASE INHIBITORS WYETH CORP (US) 2005-07-14 WO disclosed
US-20040242883-A1 Thieno[3,2-b]pyridine-6-carbonitriles and thieno[2,3-b]pyridine-5-carbonitriles as protein kinase inhibitors WYETH 2004-12-02 US disclosed
US-20040138251-A1 Thieno[3,2-b]pyridine-6-carbonitriles and thieno[2,3-b]pyridine-5-carbonitriles as protein kinase inhibitors WYETH 2004-07-15 US disclosed
WO-2004048386-A2 THIENO[3,2-b]PYRIDINE-6-CARBONITRILES AND THIENO[2,3-b]PYRIDINE-5-CARBONITRILES AS PROTEIN KINASE INHIBITORS WYETH (US) 2004-06-10 WO 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 (3 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-20080070913-A1 Thieno [ 3,2-b] pyridine-6-carbonitriles and thieno [2,3-b] pyridine-5-carbonitriles as protein kinase inhibitors PKN2, TNNI3K, PKN1 HPGD 2649/4885ALDH1A1 3008/4885TSHR 318/4885
US-20040242883-A1 Thieno[3,2-b]pyridine-6-carbonitriles and thieno[2,3-b]pyridine-5-carbonitriles as protein kinase inhibitors PKN2, PTK2B, PKN1 HPGD 2218/4885ALDH1A1 2974/4885TSHR 463/4885
US-20040138251-A1 Thieno[3,2-b]pyridine-6-carbonitriles and thieno[2,3-b]pyridine-5-carbonitriles as protein kinase inhibitors PTK2B, PKD1, PKN1 HPGD 1872/4885ALDH1A1 1536/4885TSHR 354/4885

“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.