SCHEMBL5111357

SCHEMBL5111357

Cc1ccc2[nH]c([CH]CC(N)=O)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
PIN1 Q13526 2/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
AKT3 Q9Y243 1/20 0.38
TP53 P04637 2/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36

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
SCHEMBL5117076 0.82 MAPT (0.50) MAPTKMT2AMEN1CYP1A2CYP2C19
SCHEMBL16924488 0.76 MAPT (0.44) MAPTKMT2AMEN1CYP1A2CYP2C19
SCHEMBL30181358 0.76 MAPT (0.44) MAPTKMT2AMEN1CYP1A2CYP2C19
SCHEMBL11586101 0.75 MAPT (0.61) MAPTKMT2AMEN1CYP1A2CYP2C19
Ethylene Glycol SCHEMBL9867036 0.75 KMT2A (0.53) MAPTKMT2AMEN1CYP1A2CYP2C19
SCHEMBL9453475 0.74 IKBKB (0.51) MAPTKMT2AMEN1CYP1A2CYP2C19
SCHEMBL9453478 0.74 IKBKB (0.51) MAPTKMT2AMEN1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL29956249 0.74 MAPT (0.43) MAPTKMT2AMEN1CYP1A2CYP2C19
SCHEMBL4551595 0.73 KMT2A (0.56) MAPTKMT2AMEN1CYP1A2CYP2C19
SCHEMBL30707844 0.73 PIN1 (0.55) MAPTKMT2AMEN1CYP1A2CYP2C19

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-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-28 US claimed
US-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-28 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-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ MAPT 1422/4885KMT2A 4149/4885MEN1 4873/4885

“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.