SCHEMBL21795440

SCHEMBL21795440

CCC(C)c1cc2ccccc2n1C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MCL1 Q07820 1/20 0.47
TERT O14746 1/20 0.44
DAO P14920 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
BRD4 O60885 1/20 0.40
BRPF1 P55201 1/20 0.40
KAT2B Q92831 1/20 0.40
BRD9 Q9H8M2 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
SCHEMBL28965280 0.84 KMT2A (0.42) KMT2AMCL1TERTDAOMEN1
SCHEMBL9887744 0.82 KMT2A (0.55) KMT2AMCL1TERTDAOALDH1A1
SCHEMBL20746874 0.79 KMT2A (0.52) KMT2AMCL1TERTDAOALDH1A1
SCHEMBL9565143 0.79 KMT2A (0.52) KMT2AMCL1TERTDAOALDH1A1
SCHEMBL11600616 0.79 MCL1 (0.53) KMT2AMCL1TERTDAOALDH1A1
SCHEMBL31291305 0.79 MCL1 (0.53) KMT2AMCL1TERTDAOALDH1A1
SCHEMBL12534057 0.79 ALDH1A1 (0.47) KMT2AALDH1A1KDM4EHPGD
SCHEMBL29061991 0.78 KMT2A (0.44) KMT2AMCL1TERTDAOALDH1A1
SCHEMBL1452214 0.78 KMT2A (0.38) KMT2AMCL1TERTDAOALDH1A1
SCHEMBL10283909 0.77 KMT2A (0.35) KMT2AMCL1ALDH1A1KDM4EHPGD

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-20200071316-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF Kineta Immuno-Oncology LLC 2020-03-05 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-20200071316-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF RARB, RARG, RARA KMT2A 3906/4885MCL1 736/4885TERT 2164/4885

“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.