SCHEMBL17816210

SCHEMBL17816210

CC(C)(C)c1cc(C(F)(F)F)c(-c2ccc(C#N)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.49
CYP11B2 P19099 3/20 0.47
NSD2 O96028 1/20 0.42
AR P10275 1/20 0.41
AKT1 P31749 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
SYK P43405 1/20 0.39
SQOR Q9Y6N5 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
SLC22A12 Q96S37 3/20 0.37
DGAT1 O75907 1/20 0.37
SOAT1 P35610 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAP4K4 O95819 1/20 0.37
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL17816211 0.85 CLK4 (0.42) SYKPTGDR2SLC22A12MAOB
SCHEMBL16454402 0.84 CYP11B2 (0.50) KIF11CYP11B2NSD2ARAKT1
SCHEMBL17808244 0.82 IDO1 (0.44) KIF11CYP11B2PIK3CASQORKCNH2
SCHEMBL17808218 0.81 KIF11 (0.45) KIF11CYP11B2NSD2AKT1SQOR
SCHEMBL17816207 0.81 KDM4E (0.43) KCNH2MAP4K4
SCHEMBL17808303 0.81 S1PR1 (0.42) SYKSLC22A12
SCHEMBL17808228 0.78 MAP4K4 (0.54) KIF11PIK3CAKCNH2MAP4K4
SCHEMBL17808216 0.78 CYP11B2 (0.45) KIF11CYP11B2SLC22A12MAP4K4KDM1A
SCHEMBL397926 0.76 KIF11 (0.65) KIF11CYP11B2NSD2ARTRPV4
SCHEMBL17816220 0.75 CYP1A2 (0.36) CYP11B2PIK3CADGAT1KCNH2MAP4K4

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-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-20160159781-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-20160159781-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 KIF11 3376/4885CYP11B2 344/4885NSD2 4211/4885

“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.