SCHEMBL17815907

SCHEMBL17815907

Cc1cc2nccn2c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.39
ROCK1 Q13464 2/20 0.39
FLT1 P17948 1/20 0.39
CDK9 P50750 1/20 0.39
LIMK1 P53667 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CHRM4 P08173 5/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
IDO1 P14902 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHEK1 O14757 1/20 0.32
MAP4K4 O95819 1/20 0.32
CSF1R P07333 1/20 0.32
PRKACA P17612 1/20 0.32
KDR P35968 1/20 0.32
MAP2K1 Q02750 1/20 0.32
ACVR1 Q04771 1/20 0.32

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
SCHEMBL3758060 0.84 L3MBTL1 (0.37) CDK8ROCK1FLT1CDK9LIMK1
SCHEMBL17812872 0.77 FLT1 (0.35) CDK8ROCK1FLT1CDK9LIMK1
SCHEMBL3767439 0.76 KDM4E (0.36) CDK8ROCK1FLT1CDK9LIMK1
SCHEMBL3754494 0.74 ALDH1A1 (0.39) CDK8ROCK1FLT1CDK9LIMK1
SCHEMBL17174248 0.72 CDK8 (0.47) CDK8ROCK1FLT1CDK9LIMK1
SCHEMBL15743345 0.70 HPGDS (0.36) CDK8ROCK1FLT1CDK9LIMK1
SCHEMBL27385858 0.69 CDK8 (0.41) CDK8ROCK1FLT1CDK9LIMK1
SCHEMBL2673260 0.69 L3MBTL1 (0.34) CDK8ROCK1FLT1CDK9LIMK1
SCHEMBL5572841 0.69 CDK8 (0.41) CDK8ROCK1FLT1CDK9LIMK1
SCHEMBL15743378 0.69 GABRG2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19KDR

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-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SOUTHERN RESEARCH INSTITUTE 2016-06-09 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-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SLC18A2, SLC6A2, SLC6A3 CDK8 1965/4885ROCK1 2999/4885FLT1 972/4885

“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.