SCHEMBL1006461

SCHEMBL1006461

Nc1csc2ccncc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.56
AXL P30530 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
RAD52 P43351 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
AOC1 P19801 2/20 0.36
AOC3 Q16853 2/20 0.36
IMPDH2 P12268 3/20 0.36
MEN1 O00255 1/20 0.34

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
SCHEMBL31167180 1.00 CYP2A6 (0.56) CYP2A6AXLEP300KAT2BKAT8
SCHEMBL619829 0.83 CYP2A6 (0.43) CYP2A6AXLEP300KAT2BKAT8
SCHEMBL30098534 0.83 CYP2A6 (0.43) CYP2A6AXLEP300KAT2BKAT8
SCHEMBL30940059 0.77 CYP2A6 (0.53) CYP2A6AXLEP300KAT2BKAT8
SCHEMBL3962397 0.77 CYP2A6 (0.53) CYP2A6AXLEP300KAT2BKAT8
SCHEMBL14438020 0.75 CYP2A6 (0.51) CYP2A6CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28913407 0.75 CYP2A6 (0.51) CYP2A6KDM4EHTTALDH1A1MAPT
SCHEMBL4695073 0.73 MAP3K7 (0.42) CYP2A6AXLEP300KAT2BKAT8
SCHEMBL21597160 0.72 CYP2A6 (0.71) CYP2A6KDM4EHTTMEN1KDM6B
SCHEMBL18878988 0.71 CYP2A6 (0.47) CYP2A6KDM4EPOLBCYP1A2CYP3A4

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
WO-2024201248-A1 COMPOUNDS AND METHODS FOR DEGRADING GSPT1 PIN THERAPEUTICS, INC. (KR) 2024-10-03 WO disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS EFFECTOR THERAPEUTICS, INC. 2017-05-25 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
US-8501769-B2 Thienopyridyl compounds that inhibit vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. (US) 2013-08-06 US disclosed
US-20110082170-A1 THIENOPYRIDYL COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2011-04-07 US disclosed
US-7875627-B2 e.g.1-(4-Chloro-benzyl)-3-(2-methyl-thieno[2,3-c]pyridin-3-yl)-urea; 2-Methyl-thieno[2,3-c]pyridin-3-yl)-carbamic acid 4-trifluoromethylsulfanyl-benzyl ester; controlling pain, urinary incontinence, bladder overactivity, and inflammatory thermal hyperalgesia in mammals ABBOTT LABORATORIES (US) 2011-01-25 US disclosed
EP-1824860-A2 THIENOPYRIDYL COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2007-08-29 EP disclosed
US-20060148843-A1 Thienopyridyl compounds that inhibit vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. 2006-07-06 US disclosed
WO-2006063178-A2 THIENOPYRIDYL COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2006-06-15 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 (8 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-20060148843-A1 Thienopyridyl compounds that inhibit vanilloid receptor subtype 1 (VR1) and uses thereof TRPV1, GPR55, P2RX6 CYP2A6 358/4885AXL 1167/4885EP300 3171/4885
US-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK CYP2A6 4092/4885AXL 672/4885EP300 3834/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK CYP2A6 3749/4885AXL 359/4885EP300 4520/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK CYP2A6 4092/4885AXL 672/4885EP300 3834/4885
US-20110082170-A1 THIENOPYRIDYL COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF TRPV1, GPR55, P2RX6 CYP2A6 358/4885AXL 1167/4885EP300 3171/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK CYP2A6 4043/4885AXL 620/4885EP300 3873/4885
US-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS MAP3K9, MAP3K19, MAP3K20 CYP2A6 3319/4885AXL 776/4885EP300 2422/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK CYP2A6 4043/4885AXL 620/4885EP300 3873/4885

“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.