SCHEMBL17812872

SCHEMBL17812872

Cc1cc2nccn2c(C)c1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.35
CDK8 P49336 1/20 0.35
CDK9 P50750 1/20 0.35
LIMK1 P53667 1/20 0.35
ROCK1 Q13464 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
CHRM4 P08173 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL17815907 0.77 CDK8 (0.39) FLT1CDK8CDK9LIMK1ROCK1
SCHEMBL3758060 0.74 L3MBTL1 (0.37) FLT1CDK8CDK9LIMK1ROCK1
SCHEMBL17826559 0.71 L3MBTL1 (0.35)
SCHEMBL3767439 0.70 KDM4E (0.36) FLT1CDK8CDK9LIMK1ROCK1
SCHEMBL17812868 0.69 CDK8 (0.39) FLT1CDK8CDK9LIMK1ROCK1
SCHEMBL21849255 0.69 KDM4E (0.33) FLT1CDK8CDK9LIMK1ROCK1
SCHEMBL3754494 0.69 ALDH1A1 (0.39) FLT1CDK8CDK9LIMK1ROCK1
SCHEMBL17174248 0.67 CDK8 (0.47) FLT1CDK8CDK9LIMK1ROCK1
SCHEMBL18748604 0.66 CHEK1 (0.33) CDK8ROCK1
SCHEMBL15743345 0.65 HPGDS (0.36) FLT1CDK8CDK9LIMK1ROCK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873702-B2 Heterocyclic compounds as biogenic amine transport modulators SOUTHERN RESEARCH INSTITUTE (US) 2018-01-23 US disclosed
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 FLT1 972/4885CDK8 1965/4885CDK9 3733/4885

“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.