SCHEMBL3359768

SCHEMBL3359768

N#Cc1c[nH]c2ccsc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
DPYD Q12882 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CYP3A4 P08684 1/20 0.36
HTR3A P46098 1/20 0.36
NEK1 Q96PY6 1/20 0.34
MCL1 Q07820 4/20 0.34
PDPK1 O15530 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
HASPIN Q8TF76 1/20 0.32
PARP1 P09874 1/20 0.32
DAO P14920 1/20 0.32
CHUK O15111 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
SCHEMBL3997640 0.72 DPYD (0.38) IMPDH2IMPDH1DPYDHTR2AHTR2C
SCHEMBL3079997 0.72 NEK1 (0.42) IMPDH2IMPDH1DPYDNEK1MCL1
SCHEMBL3069636 0.72 DPYD (0.42) IMPDH2IMPDH1DPYDNEK1MCL1
SCHEMBL2793777 0.69 CYP3A4 (0.50) CYP3A4HTR3AKDM4EALDH1A1HPGD
SCHEMBL4902650 0.68 MCL1 (0.46) IMPDH2IMPDH1MCL1KDM4EALDH1A1
SCHEMBL5010332 0.68 IMPDH2 (0.72) IMPDH2IMPDH1KDM4EALDH1A1HPGD
SCHEMBL9836959 0.68 HTR2A (0.36) HTR2AHTR2CHTR2BCYP3A4HTR3A
SCHEMBL6708336 0.68 CYP3A4 (0.49) HTR2AHTR2CHTR2BCYP3A4HTR3A
SCHEMBL13229697 0.68 CYP3A4 (0.49) HTR2AHTR2CHTR2BCYP3A4HTR3A
SCHEMBL14266832 0.67 DPYD (0.36) DPYDMCL1PDPK1KDM4EDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006252-B2 Fused multicyclic compounds as protein kinase inhibitors NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2015-04-14 US disclosed
EP-2331530-B1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NAT HEALTH RESEARCH INSTITUTES (CN) 2013-08-21 EP disclosed
CN-102232071-A Fused Polycyclic Compounds as Protein Kinase Inhibitors NAT HEALTH RESEARCH INSTITUTES 2011-11-02 CN disclosed
US-20100081675-A1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-04-01 US disclosed
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-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-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
EP-1756117-A2 THIENO[3,2-b]PYRIDINE-6-CARBONITRILES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2007-02-28 EP 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
WO-2005113560-A2 THIENO[3,2-b]PYRIDINE-6-CARBONITRILES AS PROTEIN KINASE INHIBITORS WYETH (US) 2005-12-01 WO 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 (4 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 IMPDH2 4028/4885IMPDH1 3298/4885DPYD 1419/4885
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 IMPDH2 4100/4885IMPDH1 3401/4885DPYD 1557/4885
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 IMPDH2 2092/4885IMPDH1 1097/4885DPYD 1450/4885
US-20100081675-A1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS AURKC, AURKA, AURKB IMPDH2 2426/4885IMPDH1 2046/4885DPYD 1330/4885

“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.