SCHEMBL5382969

SCHEMBL5382969

Cc1ccsc1CSc1nc(Nc2ccc(F)cc2)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
CDK2 P24941 1/20 0.37
KCNH3 Q9ULD8 6/20 0.36
ADORA2A P29274 1/20 0.36
STK17A Q9UEE5 1/20 0.35
METAP2 P50579 1/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
JAK2 O60674 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP1B1 Q16678 1/20 0.34

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
SCHEMBL5371816 0.91 METAP2 (0.42) METAP2MAPTTP53POLBMEN1
SCHEMBL5373579 0.88 MAPT (0.44) CDK2KCNH3METAP2MAPTTP53
SCHEMBL5376816 0.86 SYK (0.39) SYKKCNH3ADORA2ASTK17AMAPT
SCHEMBL5385452 0.82 CDK2 (0.44) SYKCDK2KCNH3MAPTTP53
SCHEMBL5381220 0.81 METAP2 (0.43) METAP2MAPTTP53NPC1LMNA
SCHEMBL6975691 0.80 SYK (0.41) SYKCDK2KCNH3STK17AMAPT
SCHEMBL5374255 0.80 METAP2 (0.41) METAP2MAPTMEN1NPC1LMNA
SCHEMBL5378877 0.78 ALDH1A1 (0.43) METAP2MAPTPOLBMEN1NPC1
SCHEMBL5384649 0.78 CDK2 (0.40) CDK2KCNH3ADORA2ASTK17AMETAP2
SCHEMBL5384683 0.77 KCNH3 (0.40) SYKKCNH3ADORA2AMAPTTP53

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-7304082-B2 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION (US) 2007-12-04 US disclosed
US-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION 2005-12-01 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-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use METAP2, METAP1, DNPEP SYK 1905/4885CDK2 837/4885KCNH3 4520/4885

“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.