Sugi Predict

Sugi Predict / Compounds / SCHEMBL17080372

SCHEMBL17080372

SCHEMBL17080372

CC1(C)Cc2c(Br)cccc2C(c2cnc3c(F)cnn3c2)=N1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.34
▸ FLT1 P17948 2/20 0.34
▸ FLT4 P35916 2/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ DYRK3 O43781 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ INSR P06213 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ MARK3 P27448 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ IRAK1 P51617 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ CSNK1G2 P78368 1/20 0.34

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
SCHEMBL17080359 0.88 KDR (0.41) KDRFLT1FLT4PLK4AURKA
SCHEMBL17080365 0.82 MAP3K12 (0.33) ALDH1A1KDM4E
SCHEMBL18623807 0.75 MAP3K12 (0.34) ALDH1A1KDM4E
SCHEMBL18623818 0.75 KDR (0.36) KDRFLT1FLT4PRKAB1BMPR1A
SCHEMBL23265365 0.74 ABCB1 (0.35) ALDH1A1KDM4EKMT2A
SCHEMBL17080369 0.74 DYRK1A (0.40) DYRK1AALDH1A1KDM4E
SCHEMBL18289231 0.73 ALDH1A1 (0.33) ALDH1A1KDM4E
SCHEMBL18623810 0.72 KDR (0.43) KDRFLT1FLT4PLK4AURKA
SCHEMBL18766109 0.72 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2A
SCHEMBL29369378 0.72 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2A

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 KDR 4235/4885FLT1 2493/4885FLT4 3452/4885

“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.