SCHEMBL5117076

SCHEMBL5117076

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PIN1 Q13526 2/20 0.42
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
AKT3 Q9Y243 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
MCL1 Q07820 1/20 0.40
ATM Q13315 1/20 0.40
TP53 P04637 1/20 0.40
CHEK2 O96017 2/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39

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
SCHEMBL5111357 0.82 MAPT (0.46) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL9453478 0.82 IKBKB (0.51) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL9453475 0.82 IKBKB (0.51) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL30181358 0.80 MAPT (0.44) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL16924488 0.80 MAPT (0.44) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL11586101 0.80 MAPT (0.61) MAPTMEN1KMT2ACYP1A2CYP2C9
Hydrochloric Acid SCHEMBL29956249 0.79 MAPT (0.43) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL30707844 0.78 PIN1 (0.55) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL5117216 0.77 CYP3A4 (0.54) MAPTMEN1KMT2AKDM4ETP53
SCHEMBL20152875 0.77 KMT2A (0.44) MAPTMEN1KMT2ACYP1A2CYP2C9

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 1422/4885MEN1 4873/4885KMT2A 4149/4885

“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.