SCHEMBL1622006

SCHEMBL1622006

CSc1nc(N)c2c(C)c(C)sc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 6/20 1.00
LMNA P02545 5/20 0.61
MAPK1 P28482 3/20 0.61
HSD17B10 Q99714 2/20 0.61
TSHR P16473 1/20 0.61
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
LIMK1 P53667 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 1/20 0.47
ELANE P08246 1/20 0.45
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPT P10636 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL1622894 0.77 ABCB1 (0.62) ABCB1LMNAMAPK1HSD17B10TSHR
SCHEMBL1622072 0.77 ABCB1 (0.62) ABCB1LMNAMAPK1HSD17B10TSHR
SCHEMBL6015560 0.74 ABCB1 (0.59) ABCB1LMNAMAPK1HSD17B10TSHR
SCHEMBL6015528 0.74 ABCB1 (0.59) ABCB1LMNAMAPK1HSD17B10TSHR
SCHEMBL6015570 0.73 ABCB1 (0.57) ABCB1LMNAMAPK1HSD17B10TSHR
SCHEMBL1622598 0.71 ABCB1 (0.59) ABCB1LMNAMAPK1HSD17B10TSHR
SCHEMBL1622881 0.71 ABCB1 (0.56) ABCB1LMNAMAPK1HSD17B10TSHR
SCHEMBL6015566 0.71 ABCB1 (0.56) ABCB1LMNAMAPK1HSD17B10TSHR
SCHEMBL9413896 0.71 ABCB1 (0.53) ABCB1LMNAKMT2AGAAALDH1A1
SCHEMBL1620304 0.69 ABCB1 (0.53) ABCB1LMNAMAPK1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2573559-B1 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC (US) 2019-03-13 EP disclosed
US-20180086751-A1 SWEETENER COMPOSITION SENOMYX, INC. 2018-03-29 US disclosed
US-20180086751-A1 SWEETENER COMPOSITION SENOMYX, INC. 2018-03-29 US disclosed
US-9603848-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2017-03-28 US disclosed
US-9603848-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2017-03-28 US disclosed
US-9603848-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2017-03-28 US disclosed
EP-2062050-B1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC (US) 2016-05-18 EP disclosed
EP-2062050-B1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC (US) 2016-05-18 EP disclosed
US-9181276-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2015-11-10 US disclosed
US-9181276-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2015-11-10 US disclosed
US-7928111-B2 Compounds including substituted thienopyrimidinone derivatives as ligands for modulating chemosensory receptors SENOMYX, INC. (US) 2011-04-19 US disclosed
EP-2062050-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH Senomyx, Inc. (US) 2009-05-27 EP disclosed
WO-2008154221-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-18 WO disclosed
WO-2008154221-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-18 WO disclosed
US-20080306053-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-11 US disclosed
US-20080306053-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-11 US disclosed
US-20080306053-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-11 US disclosed
US-20080306093-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-11 US disclosed
US-20080306093-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-11 US disclosed
US-20080306093-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-11 US 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-20080306093-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH OR51E2, TAS2R50, TAS2R30 ABCB1 4212/4885LMNA 4624/4885MAPK1 3378/4885
US-20180086751-A1 SWEETENER COMPOSITION TAS2R50, TAS1R2, TAS2R10 ABCB1 4773/4885LMNA 4573/4885MAPK1 4225/4885
US-20080306053-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH OR51E2, TAS2R50, TAS2R30 ABCB1 4212/4885LMNA 4624/4885MAPK1 3378/4885

“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.