SCHEMBL17080366

SCHEMBL17080366

CC1(C)N=C(c2cnc3ccnn3c2)c2cccc(F)c2C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.34
MAP3K12 Q12852 3/20 0.33
TGFBR1 P36897 1/20 0.33
BCR P11274 1/20 0.32
GRM5 P41594 3/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
PDE4B Q07343 1/20 0.30
PDE4D Q08499 1/20 0.30
TNIK Q9UKE5 1/20 0.30
EGLN2 Q96KS0 1/20 0.30
MAP4K4 O95819 1/20 0.30

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
SCHEMBL18623818 0.84 KDR (0.36) TGFBR1MAOAMAOB
SCHEMBL18623808 0.83 NPC1 (0.47) TGFBR1GRM5
SCHEMBL18623812 0.82 KDM1A (0.35) MAOAMAOB
SCHEMBL17080356 0.81 GRM5 (0.34) TGFBR1GRM5EGLN2
SCHEMBL18623810 0.81 KDR (0.43) MAOAMAOBMAP4K4
SCHEMBL18623804 0.80 TGFBR1 (0.35) TGFBR1
SCHEMBL18623807 0.80 MAP3K12 (0.34) ABL1MAP3K12GRM5PDE4BPDE4D
SCHEMBL18623817 0.79 MAPT (0.37) GRM5MAOAMAOB
SCHEMBL18623813 0.78 KDM4E (0.41) TGFBR1
SCHEMBL18623819 0.78 DYRK1A (0.42) TGFBR1GRM5

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 ABL1 3690/4885MAP3K12 4705/4885TGFBR1 714/4885

“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.