SCHEMBL17453071

SCHEMBL17453071

CC(C)c1ccc2c(cnn2CC(C)(C)O)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.42
HTR2C P28335 5/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NR3C1 P04150 11/20 0.40
HTR1A P08908 2/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
HTR2B P41595 2/20 0.36
HTR1D P28221 1/20 0.36
HTR7 P34969 1/20 0.36
HTR4 Q13639 1/20 0.36
KMO O15229 2/20 0.35
PLA2G7 Q13093 1/20 0.33
MGLL Q99685 1/20 0.33
ABHD6 Q9BV23 1/20 0.33

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
SCHEMBL17448065 0.81 CYP11B1 (0.49) HTR2AHTR2CMEN1RAB9AKMT2A
SCHEMBL15341863 0.80 HTR2A (0.47) HTR2AHTR2CMEN1NPC1RAB9A
SCHEMBL21175117 0.79 KMO (0.43) HTR2AHTR2CNR3C1KMO
SCHEMBL904781 0.78 HTR2A (0.37) HTR2AHTR2CNR3C1KMO
SCHEMBL15341861 0.78 HTR2A (0.44) HTR2AHTR2CMEN1NPC1RAB9A
SCHEMBL904802 0.77 HTR2A (0.39) HTR2AHTR2CNR3C1HTR1AADRA2A
SCHEMBL24352982 0.77 HTR2A (0.48) HTR2AHTR2CMEN1NPC1RAB9A
SCHEMBL27013087 0.75 RECQL (0.53) MEN1NPC1RAB9AKMT2AADRA2A
SCHEMBL27439685 0.75 HTR2A (0.37) HTR2AHTR2CNR3C1HTR1AADRA2A
SCHEMBL6955547 0.74 RECQL (0.60) HTR2AHTR2CMEN1NPC1RAB9A

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-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 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-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS CDK8, CDK9, CDK18 HTR2A 3142/4885HTR2C 2930/4885MEN1 3239/4885

“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.