SCHEMBL8193363

SCHEMBL8193363

NCc1cnc2nc(N)sc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
CYP3A4 P08684 3/20 0.35
TP53 P04637 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
PIK3CA P42336 5/20 0.34
PI4KA P42356 5/20 0.34
PI4KB Q9UBF8 5/20 0.34
PIK3CD O00329 4/20 0.33
PIK3CB P42338 4/20 0.33
PIK3CG P48736 4/20 0.33
AXL P30530 1/20 0.33
GFER P55789 1/20 0.33
CYP2D6 P10635 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL29261664 0.77 ALDH1A1 (0.40) ALDH1A1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL20489476 0.76 HSD17B10 (0.50) ALDH1A1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL21983783 0.76 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL2318862 0.76 NSD1 (0.47) ALDH1A1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL558730 0.76 ALDH1A1 (0.52) ALDH1A1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL13394470 0.71 CYP3A4 (0.54) ALDH1A1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL21983785 0.71 ALDH1A1 (0.40) ALDH1A1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL31167897 0.71 SCN4A (0.54) ALDH1A1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL3113690 0.70 RAB9A (0.72) ALDH1A1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL21061964 0.70 KDM4E (0.58) ALDH1A1MAPTKDM4ERAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132178-B1 JNK INHIBITORS MERCK SHARP & DOHME (US) 2015-08-19 EP disclosed
US-8278337-B2 Substituted pyridines that are JNK inhibitors MERCK SHARP & DOHME (US) 2012-10-02 US disclosed
US-8278337-B2 Substituted pyridines that are JNK inhibitors MERCK SHARP & DOHME (US) 2012-10-02 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100179141-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-07-15 US disclosed
US-20100179141-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-07-15 US disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 WO disclosed
WO-2008082487-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 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 (2 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-20100179141-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK5, MAPK15 ALDH1A1 3650/4885MAPT 3158/4885KDM4E 3354/4885
US-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 ALDH1A1 1430/4885MAPT 1863/4885KDM4E 3905/4885

“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.