SCHEMBL18289239

SCHEMBL18289239

CC1(C)N=C(c2cnn3ccc(Cl)c3c2)c2cccc(F)c2C1(C)C

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.31
JAK2 O60674 2/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
KCNH2 Q12809 1/20 0.31
EPHB3 P54753 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
GRIN2B Q13224 3/20 0.31
RIPK2 O43353 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
SCHEMBL18289278 0.83 KDM4E (0.32) GRIN2B
SCHEMBL18289229 0.81 JAK2 (0.31) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL18289293 0.79 PIM1 (0.30) PIM1
SCHEMBL18289235 0.79
SCHEMBL18289284 0.78
SCHEMBL18497888 0.77 DYRK1A (0.38) JAK2JAK1JAK3EPHB3
SCHEMBL17001484 0.77 PDK2 (0.30)
SCHEMBL18289238 0.77 KDM4E (0.32)
SCHEMBL18289259 0.76 GRIN2B (0.30) GRIN2B
SCHEMBL18289243 0.76 GRIN2B (0.30) GRIN2B

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 TGFBR1 765/4885JAK2 1763/4885JAK1 1559/4885

“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.