SCHEMBL17813883

SCHEMBL17813883

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.38
S1PR4 O95977 1/20 0.35
KDM4E B2RXH2 2/20 0.33
GLA P06280 1/20 0.32
CDK1 P06493 1/20 0.31
CDK2 P24941 1/20 0.31
KDR P35968 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
SCHEMBL17808262 0.84 AAK1 (0.32) AAK1KDM4ECDK1CDK2KDR
SCHEMBL17813886 0.81 AAK1 (0.41) AAK1S1PR4KDM4EGLA
SCHEMBL16455750 0.80 S1PR1 (0.40) AAK1S1PR4LRRK2
SCHEMBL16455747 0.80 S1PR1 (0.40) AAK1S1PR4
SCHEMBL17813855 0.80 AR (0.41) AAK1S1PR4KDM4ELRRK2
SCHEMBL16455678 0.78 AAK1 (0.39) AAK1S1PR4KDM4ELRRK2
SCHEMBL16455748 0.77 AAK1 (0.41) AAK1S1PR4
SCHEMBL16455753 0.76 SSTR4 (0.39) AAK1KDM4ECDK1CDK2KDR
SCHEMBL16455749 0.74 AAK1 (0.39) AAK1S1PR4KDM4EGLA
SCHEMBL16455680 0.74 CYP11B1 (0.47) AAK1S1PR4

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-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 1174/4885S1PR4 3327/4885KDM4E 953/4885

“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.