SCHEMBL18289293

SCHEMBL18289293

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

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA1A P35348 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
SCHEMBL18289296 0.90 BACE1 (0.30) PIM1
SCHEMBL18289229 0.82 JAK2 (0.31)
SCHEMBL18289294 0.81 KDM4E (0.33) ADRA2AADRA1A
SCHEMBL18289239 0.79 TGFBR1 (0.31) PIM1
SCHEMBL18289284 0.79
SCHEMBL17001484 0.78 PDK2 (0.30)
SCHEMBL17080366 0.77 ABL1 (0.34)
SCHEMBL17001499 0.76 SLC22A1 (0.30)
SCHEMBL318061 0.75 AKR1C3 (0.41)
SCHEMBL29352004 0.75 AKR1C3 (0.41)

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 PIM1 4463/4885ADRA2A 1174/4885ADRA1A 550/4885

“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.