SCHEMBL13099752

SCHEMBL13099752

Fc1cc2c(N3CCCCC3)n[nH]c2nc1-c1cnn2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.38
JAK1 P23458 9/20 0.38
JAK3 P52333 9/20 0.38
IGF1R P08069 3/20 0.38
CCNK O75909 2/20 0.36
CDK12 Q9NYV4 2/20 0.36
CCNT1 O60563 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
NPY5R Q15761 1/20 0.35
ROCK1 Q13464 1/20 0.35

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
SCHEMBL8046001 0.90 JAK2 (0.42) JAK2JAK1JAK3IGF1RDRD2
SCHEMBL8049607 0.84 PDE2A (0.39) IGF1RPRMT5WDR77NPY5R
SCHEMBL3102417 0.83 PRMT5 (0.41) JAK2IGF1RCCNKCDK12CCNT1
SCHEMBL7954620 0.80 PRMT5 (0.39) JAK2JAK1JAK3IGF1RCCNK
SCHEMBL8032410 0.79 DYRK1A (0.43) IGF1RCCNKCDK12CCNT1CCNE1
SCHEMBL13099768 0.77 PRMT5 (0.37) JAK2JAK1JAK3IGF1RCCNK
SCHEMBL8043844 0.76 GSK3A (0.54) CCNT1CDK2CDK9
SCHEMBL8045820 0.76 CCNK (0.41) JAK2JAK1JAK3IGF1RCCNK
SCHEMBL8047356 0.75 MAP4K1 (0.38)
SCHEMBL8043843 0.75 GSK3A (0.58) CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256133-A1 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHOONGWAE PHARMA CORPORATION (KR) 2010-10-07 US disclosed
US-20100256133-A1 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHOONGWAE PHARMA CORPORATION (KR) 2010-10-07 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-20100256133-A1 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME MAP3K20, MAP3K3, MAP3K1 JAK2 329/4885JAK1 148/4885JAK3 147/4885

“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.