SCHEMBL5065736

SCHEMBL5065736

CC(C)(C)N(C(=O)O)[C@@H](CO)Cc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 2/20 0.41
CHRM1 P11229 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
MAPT P10636 1/20 0.41
CHRM3 P20309 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MAOB P27338 1/20 0.36
RAB9A P51151 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
SCHEMBL5066181 0.86 ALPI (0.43) CYP3A4CYP1A2TSHRMEN1KMT2A
SCHEMBL4064873 0.86 ALPI (0.43) CYP3A4CYP1A2TSHRMEN1KMT2A
SCHEMBL18344466 0.86 ALPI (0.43) CYP3A4CYP1A2TSHRMEN1KMT2A
SCHEMBL1529369 0.83 KDM4E (0.46) CYP2C9CYP3A4CYP1A2CHRM1TSHR
SCHEMBL2459695 0.82 MME (0.45) MEN1KMT2ALMNAALDH1A1RAB9A
SCHEMBL2102860 0.82 MME (0.45) MEN1KMT2ALMNAALDH1A1RAB9A
SCHEMBL16932215 0.81 MME (0.46) TSHRMAPTLMNAALDH1A1HTT
SCHEMBL16932216 0.81 MME (0.46) TSHRMAPTLMNAALDH1A1HTT
Hydroxyamine SCHEMBL30526974 0.79 MME (0.44) CYP3A4CYP1A2TSHRMAPTLMNA
SCHEMBL2435094 0.79 DPP4 (0.43)

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-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 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-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 CYP2C9 3394/4885CYP2C19 3729/4885CYP3A4 3855/4885

“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.