SCHEMBL18289296

SCHEMBL18289296

CC1(C)N=C(c2cnn3ccnc3c2)c2cccc(F)c2C1(F)F

nearest known ligand 0.30

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.30
GRIN2B Q13224 1/20 0.30
PIM1 P11309 1/20 0.30
JAK2 O60674 1/20 0.30
RET P07949 1/20 0.30
KDR P35968 1/20 0.30
GSK3A P49840 1/20 0.30
RPS6KA3 P51812 1/20 0.30
LIMK1 P53667 1/20 0.30
MAP2K1 Q02750 1/20 0.30
DYRK1A Q13627 1/20 0.30
MAPK14 Q16539 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
ALK Q9UM73 1/20 0.30
DYRK1B Q9Y463 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
SCHEMBL18289293 0.90 PIM1 (0.30) PIM1
SCHEMBL18289300 0.80 GABRA1 (0.33)
SCHEMBL18289294 0.80 KDM4E (0.33)
SCHEMBL18289297 0.80 AKT1 (0.31)
SCHEMBL18289298 0.77 GABRA1 (0.37)
SCHEMBL29353222 0.76 AKR1C3 (0.43) CLK4
SCHEMBL322332 0.76 AKR1C3 (0.43) CLK4
SCHEMBL21061329 0.75 IL2 (0.35) BACE1GRIN2B
SCHEMBL18623816 0.74 KDM1A (0.36) GRIN2BKDR
SCHEMBL21197520 0.73 BACE1 (0.31) BACE1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586969-B2 Microbiocidal heterobicyclic derivatives SYNGENTA PARTICIPATIONS AG (CH) 2017-03-07 US disclosed
US-9586969-B2 Microbiocidal heterobicyclic derivatives SYNGENTA PARTICIPATIONS AG (CH) 2017-03-07 US disclosed
US-20160355518-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-08 US disclosed
US-20160355518-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-08 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-20160355518-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES MSR1, C1R, C3AR1 BACE1 1650/4885GRIN2B 2100/4885PIM1 4463/4885

“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.