SCHEMBL6764542

SCHEMBL6764542

Cc1ccc2nc(NC(=O)n3ccnc3)sc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.61
RAB9A P51151 12/20 0.55
NPC1 O15118 11/20 0.55
HTT P42858 2/20 0.55
MAPT P10636 2/20 0.55
OPRK1 P41145 1/20 0.55
SMN1; SMN2 Q16637 8/20 0.55
LMNA P02545 1/20 0.55
STAT1 P42224 1/20 0.55
TP53 P04637 3/20 0.54
ACP1 P24666 2/20 0.54
PTPN1 P18031 1/20 0.53
HPGDS O60760 1/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 3/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52

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
SCHEMBL12073003 0.86 DYRK1A (0.60) DYRK1ARAB9ANPC1HTTMAPT
SCHEMBL558473 0.86 DYRK1A (0.54) DYRK1ARAB9ANPC1HTTMAPT
SCHEMBL595448 0.86 PDPK1 (0.60) DYRK1ARAB9ANPC1HTTMAPT
SCHEMBL1302068 0.86 RAB9A (0.60) DYRK1ARAB9ANPC1HTTMAPT
SCHEMBL23901136 0.85 ABL1 (0.50) DYRK1ARAB9ANPC1SMN1; SMN2TP53
SCHEMBL12544062 0.85 PIK3CG (0.69)
SCHEMBL19335102 0.84 PIK3CA (0.64) DYRK1ARAB9ANPC1HTTMAPT
SCHEMBL15834778 0.83 DYRK1A (0.62) DYRK1AACP1
SCHEMBL594893 0.83 ADORA1 (0.56) DYRK1ARAB9ANPC1HTTMAPT
SCHEMBL9998918 0.81 HPGDS (0.41) DYRK1ARAB9ANPC1HTTMAPT

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200239460-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA LP (US) 2020-07-30 US disclosed
US-20200239460-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA LP (US) 2020-07-30 US disclosed
US-10450308-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2019-10-22 US disclosed
US-10450308-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2019-10-22 US disclosed
EP-3173411-B1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA LP (US) 2018-05-09 EP disclosed
EP-3173411-B1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA LP (US) 2018-05-09 EP disclosed
EP-2934498-B1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-11-15 EP disclosed
US-9758497-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2017-09-12 US disclosed
US-20170183337-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. 2017-06-29 US disclosed
US-20170183337-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. 2017-06-29 US disclosed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US disclosed
US-20100331369-A1 Therapeutic Agents Useful for Treating Pain PURDUE PHARMA L.P. (US) 2010-12-30 US disclosed
US-20100331369-A1 Therapeutic Agents Useful for Treating Pain PURDUE PHARMA L.P. (US) 2010-12-30 US disclosed
US-7776861-B2 Cycloheteroalkenyl compounds used as analgesics and for treating incontinence, inflammatory bowel disease, Parkinson's disease, amyotrophic lateral sclerosis, dementia, epilepsy, retinopathy, pruritus, psychoses, Huntington's disease, headaches, vomiting, dyskinesia or as anxiolytics and antidepressants PURDUE PHARMA L.P. (US) 2010-08-17 US disclosed
US-7776861-B2 Cycloheteroalkenyl compounds used as analgesics and for treating incontinence, inflammatory bowel disease, Parkinson's disease, amyotrophic lateral sclerosis, dementia, epilepsy, retinopathy, pruritus, psychoses, Huntington's disease, headaches, vomiting, dyskinesia or as anxiolytics and antidepressants PURDUE PHARMA L.P. (US) 2010-08-17 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
EP-2080757-A1 Heteroaryl-tetrahydropiperidyl compounds useful for treating or preventing pain EURO-CELTIQUE S.A. (LU) 2009-07-22 EP disclosed
EP-1867644-A1 Heteroaryl-tetrahydropiperidyl compounds useful for treating or preventing pain EURO-CELTIQUE S.A. (LU) 2007-12-19 EP disclosed
WO-2005009988-A1 HETEROARYL-TETRAHYDROPIPERIDYL COMPOUNDS USEFUL FOR TREATING OR PREVENTING PAIN EURO-CELTIQUE S.A. (LU) 2005-02-03 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 (5 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-20100331369-A1 Therapeutic Agents Useful for Treating Pain GRIN1, GRIK1, GRIN2B DYRK1A 4312/4885RAB9A 963/4885NPC1 748/4885
US-20200239460-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV3 DYRK1A 729/4885RAB9A 296/4885NPC1 1303/4885
US-20170183337-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV3 DYRK1A 729/4885RAB9A 296/4885NPC1 1303/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 DYRK1A 2904/4885RAB9A 333/4885NPC1 896/4885
US-10450308-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof TRPV1, TRPA1, TRPV3 DYRK1A 729/4885RAB9A 296/4885NPC1 1303/4885

“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.