SCHEMBL7604853

SCHEMBL7604853

CN1C(=N)NC(C)(c2ccc3cn(CCC#N)nc3c2)CC1=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.32
MGAT2 Q10469 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL7551531 1.00 MAPT (0.35) MAPTHPGDKMT2AALDH1A1MGAT2
SCHEMBL7540305 0.88 CNR2 (0.32)
SCHEMBL7572466 0.87 CYP19A1 (0.33)
SCHEMBL7552567 0.85
SCHEMBL7569168 0.83 CRHR1 (0.32)
SCHEMBL7565733 0.83 CRHR1 (0.30)
SCHEMBL7559865 0.83 CRHR1 (0.30)
SCHEMBL7561518 0.83 KDM4C (0.38) ALDH1A1
SCHEMBL7560968 0.83
SCHEMBL7554906 0.82 MAPT (0.40) MAPTALDH1A1

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-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 MAPT 169/4885HPGD 2404/4885KMT2A 4458/4885

“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.