SCHEMBL17080368

SCHEMBL17080368

CC1(C)N=C(c2cnc3c(Br)cnn3c2)c2cccc(F)c2C1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.42
PRKAG1 P54619 2/20 0.42
PRKAA2 P54646 2/20 0.42
PRKAA1 Q13131 2/20 0.42
PRKAG3 Q9UGI9 2/20 0.42
PRKAG2 Q9UGJ0 2/20 0.42
PRKAB1 Q9Y478 2/20 0.42
KDR P35968 4/20 0.40
PLK4 O00444 1/20 0.40
AURKA O14965 1/20 0.40
DYRK3 O43781 1/20 0.40
MAP4K4 O95819 1/20 0.40
NTRK1 P04629 1/20 0.40
INSR P06213 1/20 0.40
CDK1 P06493 1/20 0.40
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
CDK2 P24941 1/20 0.40
MARK3 P27448 1/20 0.40
FLT4 P35916 1/20 0.40

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
SCHEMBL17080354 0.89 KDR (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL18623810 0.79 KDR (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17080355 0.79 KDR (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17080363 0.78 KDR (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17080359 0.78 KDR (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20474229 0.76 IDO1 (0.34)
SCHEMBL20474223 0.72 IDO1 (0.35)
SCHEMBL4524277 0.72 AKR1C3 (0.43) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
SCHEMBL18280680 0.71
SCHEMBL17080372 0.69 KDR (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9896454-B2 Microbiocidal heterobicyclic derivatives SYNGENTA PARTICIPATIONS AG (CH) 2018-02-20 US disclosed
US-9896454-B2 Microbiocidal heterobicyclic derivatives SYNGENTA PARTICIPATIONS AG (CH) 2018-02-20 US disclosed
US-9896454-B2 Microbiocidal heterobicyclic derivatives SYNGENTA PARTICIPATIONS AG (CH) 2018-02-20 US disclosed
EP-3114127-B1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-11-29 EP disclosed
US-20170073346-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-03-16 US disclosed
US-20170073346-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-03-16 US disclosed
US-20170073346-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-03-16 US disclosed
EP-3114127-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES Syngenta Participations AG (CH) 2017-01-11 EP disclosed
WO-2015132133-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2015-09-11 WO 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-20170073346-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES MSR1, C1R, C3AR1 PRKAB2 4315/4885PRKAG1 4219/4885PRKAA2 3454/4885

“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.