SCHEMBL17080356

SCHEMBL17080356

CC1(C)N=C(c2cnc3cccn3c2)c2cccc(F)c2C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.34
TGFBR1 P36897 1/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EGLN2 Q96KS0 1/20 0.30
AXL P30530 1/20 0.30
FLT3 P36888 1/20 0.30
MERTK Q12866 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
SCHEMBL18623827 0.84 GRM5 (0.34) GRM5
SCHEMBL18623803 0.83 GRM5 (0.32) GRM5
SCHEMBL18623819 0.83 DYRK1A (0.42) GRM5TGFBR1
SCHEMBL18623831 0.82 GRM5 (0.34) GRM5NPC1RAB9AALDH1A1
SCHEMBL17080366 0.81 ABL1 (0.34) GRM5TGFBR1EGLN2
SCHEMBL18623828 0.81 GRM5 (0.32) GRM5
SCHEMBL18623823 0.80 GRM5 (0.45) GRM5
SCHEMBL18623804 0.80 TGFBR1 (0.35) TGFBR1
SCHEMBL18623808 0.79 NPC1 (0.47) GRM5TGFBR1NPC1RAB9AALDH1A1
SCHEMBL18623825 0.79 GRM5 (0.30) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106103444-B Microbicidal heterobicyclic derivatives 先正达参股股份有限公司 2019-03-12 CN 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
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
CN-106103444-A Microbicidal heterobicyclic derivatives 先正达参股股份有限公司 2016-11-09 CN 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 GRM5 1798/4885TGFBR1 714/4885NPC1 3394/4885

“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.