SCHEMBL3601787

SCHEMBL3601787

COc1ccc(-c2cc3cn[nH]c(=O)c3s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 4/20 0.54
HPGD P15428 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
PDPK1 O15530 1/20 0.54
PKM P14618 3/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 3/20 0.45
TP53 P04637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL1144530 0.82 RAB9A (0.50) RAB9AALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL3604808 0.78 METAP2 (0.43) RAB9APDPK1
SCHEMBL15748304 0.71 RAB9A (0.69) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL15703311 0.70 NPC1 (1.00) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL1526819 0.69 ALDH1A1 (0.51) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL1009542 0.69 HSD17B10 (0.51) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL1373045 0.67 KMT2A (0.51) ALDH1A1KDM4EPKMKMT2AMEN1
SCHEMBL15881559 0.67 RAB9A (0.62) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL30334708 0.66 NOS1 (0.39) RAB9AALDH1A1KDM4EHPGDPKM
SCHEMBL24087801 0.66 CYP1A2 (0.62) NPC1RAB9AALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723331-B2 Thienopyrimidine compounds and uses thereof ASTRAZENECA AB (SE) 2010-05-25 US disclosed
US-20080051405-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-02-28 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 (1 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-20080051405-A1 Therapeutic Agents GPR119, HTT, IAPP NPC1 148/4885RAB9A 1071/4885ALDH1A1 2426/4885

“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.