SCHEMBL17808262

SCHEMBL17808262

C=CCCOc1cnc(C(C)(C)C)cc1C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.32
CDK1 P06493 2/20 0.32
CDK2 P24941 2/20 0.32
KDR P35968 2/20 0.32
KDM4E B2RXH2 1/20 0.31
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL17813883 0.84 AAK1 (0.38) AAK1CDK1CDK2KDRKDM4E
SCHEMBL17808279 0.82 PDE3B (0.39) AAK1KDM4E
SCHEMBL17808213 0.81 S1PR1 (0.38) AAK1
SCHEMBL17808239 0.81 AR (0.39) AAK1KDM4E
SCHEMBL17808284 0.81 S1PR1 (0.38) AAK1LRRK2
SCHEMBL17808286 0.80 CNR1 (0.35) AAK1LRRK2
SCHEMBL17808214 0.80 HTT (0.37) AAK1KDM4ELRRK2
SCHEMBL17808287 0.76 AAK1 (0.32) AAK1
SCHEMBL17808289 0.76 CYP11B1 (0.45)
SCHEMBL17808241 0.76 HTR2A (0.39) AAK1KDRLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611248-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-04-04 US disclosed
US-9611248-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-04-04 US disclosed
US-20160159767-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 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-20160159767-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 AAK1 1174/4885CDK1 130/4885CDK2 401/4885

“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.