SCHEMBL7245607

SCHEMBL7245607

[c]1nc(-c2cn[nH]c2)cs1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 3/20 0.44
AKT1 P31749 1/20 0.44
ILK Q13418 1/20 0.37
MAPK1 P28482 2/20 0.36
KCNH2 Q12809 1/20 0.35
GRM4 Q14833 1/20 0.35
PIM1 P11309 3/20 0.35
CHEK1 O14757 3/20 0.34
CHEK2 O96017 2/20 0.34
PIM3 Q86V86 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
ABL1 P00519 1/20 0.34
MAPK8 P45983 1/20 0.33
MAPT P10636 2/20 0.32
ROCK2 O75116 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
GPR35 Q9HC97 1/20 0.31

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
SCHEMBL3740850 0.73 AKT2 (0.70) AKT2AKT1ILKMAPK1KCNH2
Hydrochloric Acid SCHEMBL28973063 0.71 AKT2 (0.67) AKT2AKT1ILKMAPK1KCNH2
SCHEMBL18955827 0.71 AKT2 (0.45) AKT2AKT1ILKMAPK1KCNH2
SCHEMBL7240451 0.69 ATM (0.33)
SCHEMBL443517 0.67 LMNA (0.43) MAPT
SCHEMBL70645 0.67 ALDH1A1 (0.42) MAPT
SCHEMBL17625974 0.67 PIK3CD (0.43) MAPK1MAPT
SCHEMBL1667738 0.67
SCHEMBL29533228 0.67 AKT2 (0.61) AKT2AKT1ILKMAPK1KCNH2
SCHEMBL16432987 0.67 AKT2 (0.76) AKT2AKT1ILKPIM1PIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030199046-A1 Processes and intermediates useful in preparing beta3-adrenergic receptor agonists CHAMBERS ROBERT J (US) 2003-10-23 US claimed

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-20030199046-A1 Processes and intermediates useful in preparing beta3-adrenergic receptor agonists ADRB3, ADRB1, ADRB2 AKT2 1749/4885AKT1 1227/4885ILK 3737/4885

“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.