SCHEMBL4904323

SCHEMBL4904323

O=C(O)c1cnc2cc(Br)sc2c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
AKR1C1 Q04828 3/20 0.36
AKR1C4 P17516 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 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
SCHEMBL4893675 0.86 CHEK1 (0.40) KMT2AMEN1KDM4ECHEK1
SCHEMBL7276545 0.81 GABRP (0.40) KMT2AMEN1RXFP1KDM4EGABRP
SCHEMBL27262833 0.76 MAPT (0.49) KMT2AMEN1RXFP1KDM4EALDH1A1
SCHEMBL7484421 0.74 KDM4E (0.37) AKR1C3AKR1C2AKR1C1AKR1C4KMT2A
SCHEMBL4543344 0.72 CHEK1 (0.40) CHEK1
SCHEMBL10739388 0.71 ALDH1A1 (0.30) ALDH1A1
SCHEMBL4543435 0.70 GPR35 (0.41) KMT2AMEN1RXFP1KDM4ECHEK1
SCHEMBL2207338 0.69 AKR1C3 (0.41) AKR1C3AKR1C2AKR1C1AKR1C4KDM4E
SCHEMBL7288172 0.69 GPR35 (0.40) AKR1C3AKR1C2AKR1C1AKR1C4KDM4E
SCHEMBL741418 0.68 HTT (0.55) KMT2AMEN1RXFP1KDM4EGABRA1

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 9 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
CN-1714092-A Thieno [3, 2-b ] pyridine-6-carbonitriles and thieno [2, 3-b ] pyridine-5-carbonitriles as protein kinase inhibitors WYETH CORP (US) 2005-12-28 CN 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 AKR1C3 933/4885AKR1C2 1539/4885AKR1C1 1189/4885
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 AKR1C3 1189/4885AKR1C2 1710/4885AKR1C1 1381/4885
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 AKR1C3 386/4885AKR1C2 600/4885AKR1C1 401/4885

“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.