SCHEMBL25830618

SCHEMBL25830618

COc1cc(C)nc2ccc(C#N)cc12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 1/20 0.49
TERT O14746 2/20 0.47
GAK O14976 2/20 0.45
RIPK2 O43353 2/20 0.45
COQ8A Q8NI60 2/20 0.45
NLK Q9UBE8 2/20 0.45
AR P10275 3/20 0.43
CFB P00751 7/20 0.43
PDE5A O76074 1/20 0.40
PTPN11 Q06124 1/20 0.40

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
SCHEMBL26317691 0.81 PDE5A (0.43) GAKRIPK2COQ8ANLKAR
SCHEMBL6201487 0.79 CTSK (0.43) GAKRIPK2COQ8ANLKPDE5A
SCHEMBL9724306 0.78 KDM4E (0.59) DOT1LTERTPTPN11
SCHEMBL24010750 0.78 GAK (0.64) DOT1LGAKRIPK2COQ8ANLK
SCHEMBL4785913 0.78 LMNA (0.62) TERTAR
SCHEMBL4744648 0.78 PIN1 (0.41) TERTAR
SCHEMBL5848248 0.76 DOT1L (0.52) DOT1LTERTPTPN11
SCHEMBL11039427 0.76 CRHR1 (0.52) DOT1LTERT
SCHEMBL24003870 0.73 DOT1L (0.50) DOT1LTERTPTPN11
SCHEMBL29324282 0.73 DOT1L (0.53) DOT1LTERTGAKRIPK2COQ8A

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA DOT1L 4382/4885TERT 3883/4885GAK 493/4885

“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.