SCHEMBL4902650

SCHEMBL4902650

N#Cc1c[nH]c2cc(-c3ccccc3)sc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
PTP4A3 O75365 1/20 0.44
PTP4A2 Q12974 1/20 0.44
PTP4A1 Q93096 1/20 0.44
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
CDK2 P24941 2/20 0.40
GSK3B P49841 2/20 0.40
PRKCQ Q04759 3/20 0.39
LRRK2 Q5S007 1/20 0.39
KCNH2 Q12809 1/20 0.37

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
SCHEMBL3993861 0.78 KDM4E (0.46) MCL1KDM4EALDH1A1HPGDPTP4A3
SCHEMBL6004269 0.70 ERCC5 (0.49) KDM4EALDH1A1HPGDPTP4A3PTP4A2
SCHEMBL4992479 0.69 CCNT1 (0.52) MCL1KDM4EALDH1A1HPGDIMPDH2
SCHEMBL3359768 0.68 IMPDH2 (0.41) MCL1KDM4EALDH1A1HPGDIMPDH2
SCHEMBL5010332 0.67 IMPDH2 (0.72) KDM4EALDH1A1HPGDSMN1; SMN2IMPDH2
SCHEMBL17318014 0.67 ERCC5 (0.49) KDM4EALDH1A1HPGDPTP4A3PTP4A2
SCHEMBL5556155 0.66 MCL1 (0.56) MCL1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5252469 0.66 DYRK1A (0.43) MCL1KDM4EALDH1A1HPGDERCC5
SCHEMBL4501234 0.65 GSK3B (0.51) MCL1PTP4A3PTP4A2PTP4A1CDK2
SCHEMBL7123593 0.65 PARP1 (0.41) KDM4EALDH1A1HPGDPTP4A3PTP4A2

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 MCL1 1061/4885KDM4E 1841/4885ALDH1A1 3008/4885
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 MCL1 936/4885KDM4E 2117/4885ALDH1A1 2974/4885
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 MCL1 746/4885KDM4E 2339/4885ALDH1A1 1536/4885

“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.