SCHEMBL5313613

SCHEMBL5313613

Cc1nc(O)c2ccsc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.40
PLD3 Q8IV08 1/20 0.39
CYP2C19 P33261 3/20 0.38
CYP2D6 P10635 2/20 0.38
ADORA2A P29274 2/20 0.37
ADORA1 P30542 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37

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
SCHEMBL5461465 0.79 CHEK1 (0.39) MAPK1HSD17B10L3MBTL1KMT2ASMN1; SMN2
SCHEMBL3445188 0.79 MAPK1 (0.54) MAPK1HSD17B10L3MBTL1KMT2ASMN1; SMN2
SCHEMBL1367579 0.76 KMT2A (0.54) MAPK1HSD17B10L3MBTL1KMT2ASMN1; SMN2
SCHEMBL10292506 0.76 MAPK1 (0.51) MAPK1HSD17B10L3MBTL1KMT2ASMN1; SMN2
SCHEMBL17181116 0.76 ADORA2A (0.55) MAPK1HSD17B10L3MBTL1KMT2ASMN1; SMN2
SCHEMBL23599714 0.76 CYP2D6 (0.38) MAPK1HSD17B10L3MBTL1KMT2ASMN1; SMN2
SCHEMBL4737163 0.76 NTRK1 (0.44) MAPK1HSD17B10L3MBTL1KMT2AALDH1A1
SCHEMBL18701492 0.76 ADORA2A (0.36) MAPK1HSD17B10L3MBTL1KMT2ASMN1; SMN2
SCHEMBL19523193 0.73 MAPK1 (0.49) MAPK1HSD17B10L3MBTL1KMT2ASMN1; SMN2
SCHEMBL15627224 0.73 MAPK1 (0.49) MAPK1HSD17B10L3MBTL1KMT2ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
EP-2663312-A1 IRAK INHIBITORS AND USES THEREOF Nimbus Iris, Inc. (US) 2013-11-20 EP disclosed
WO-2012097013-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2012-07-19 WO disclosed
US-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-09-13 US disclosed
WO-2007056214-A2 N-ALKYL-N-ARYL-THIENOPYRIMIDIN-R-AMINES AND USES THEREOF CYTOVIA, INC (US) 2007-05-18 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-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP10, CASP4, CASP3 MAPK1 2659/4885HSD17B10 1503/4885L3MBTL1 950/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR MAPK1 2757/4885HSD17B10 248/4885L3MBTL1 1901/4885

“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.