SCHEMBL1107219

SCHEMBL1107219

Nc1cc2cccnc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.55
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
ATM Q13315 2/20 0.47
KDM4E B2RXH2 2/20 0.47
TP53 P04637 2/20 0.47
HSP90AA1 P07900 2/20 0.47
TSHR P16473 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSP90AB1 P08238 1/20 0.47
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 2/20 0.41
DYRK1A Q13627 1/20 0.41
PDK1 Q15118 1/20 0.40
LIMK1 P53667 3/20 0.39
CASP6 P55212 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
Hydrochloric Acid SCHEMBL1098594 0.98 CYP2A6 (0.53) CYP2A6ALDH1A1MAPTATMKDM4E
Hydrochloric Acid SCHEMBL15910649 0.98 CYP2A6 (0.53) CYP2A6ALDH1A1MAPTATMKDM4E
SCHEMBL13909528 0.77 CYP2A6 (0.56) CYP2A6ALDH1A1MAPTKDM4ETP53
SCHEMBL24611854 0.75 CYP2A6 (0.55) CYP2A6ALDH1A1MAPTATMKDM4E
SCHEMBL2919083 0.75 CYP2A6 (0.55) CYP2A6ALDH1A1MAPTKDM4ETP53
SCHEMBL16023618 0.75 CYP2A6 (0.55) CYP2A6ALDH1A1MAPTATMKDM4E
SCHEMBL12434 0.75 CYP2A6 (0.55) CYP2A6ALDH1A1MAPTKDM4ETP53
SCHEMBL30060005 0.75 CYP2A6 (0.55) CYP2A6ALDH1A1MAPTATMKDM4E
SCHEMBL12266347 0.75 CYP2A6 (0.55) CYP2A6ALDH1A1MAPTATMKDM4E
SCHEMBL25805441 0.75 CYP2A6 (0.55) CYP2A6ALDH1A1MAPTATMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434711-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2016-09-06 US disclosed
US-9434711-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2016-09-06 US disclosed
US-20140315899-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-10-23 US disclosed
US-20140315899-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-10-23 US disclosed
US-8809327-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-08-19 US disclosed
EP-2762476-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE Taiho Pharmaceutical Co., Ltd. (JP) 2014-08-06 EP disclosed
EP-2183239-B1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-08-22 EP disclosed
US-20120190674-A1 SULFONAMIDES AS TRPM8 MODULATORS BRANUM SHAWN T (US) 2012-07-26 US disclosed
US-20120190674-A1 SULFONAMIDES AS TRPM8 MODULATORS BRANUM SHAWN T (US) 2012-07-26 US disclosed
US-8153682-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-04-10 US disclosed
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-10-22 US disclosed
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-10-22 US disclosed
CN-101379067-A Thieno-pyridine derivatives as MEK inhibitors UCB PHARMA SA (BE) 2009-03-04 CN disclosed
WO-2009012430-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-22 WO disclosed
WO-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 WO disclosed
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 US disclosed
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 US disclosed
WO-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 WO disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 US disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 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 (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-20120190674-A1 SULFONAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 CYP2A6 2366/4885ALDH1A1 3091/4885MAPT 3324/4885
US-20140315899-A1 SULFONAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 CYP2A6 2366/4885ALDH1A1 3091/4885MAPT 3324/4885
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A CYP2A6 4056/4885ALDH1A1 3481/4885MAPT 1927/4885
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 CYP2A6 2366/4885ALDH1A1 3091/4885MAPT 3324/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 CYP2A6 4738/4885ALDH1A1 2950/4885MAPT 2249/4885

“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.