SCHEMBL3707624

SCHEMBL3707624

CC(C)(C)c1c(N)n[nH]c1N

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.32
NPC1 O15118 1/20 0.32
GFER P55789 3/20 0.31
MAPT P10636 2/20 0.31
CCNT1 O60563 1/20 0.31
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ILK Q13418 1/20 0.30
RAB9A P51151 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
SCHEMBL6267327 0.78 BRD4 (0.36) GAAMAPTRAB9A
SCHEMBL5990467 0.78
SCHEMBL4012636 0.74 JAK2 (0.30)
SCHEMBL18681547 0.65
SCHEMBL8036925 0.65 L3MBTL1 (0.33)
SCHEMBL3643513 0.63 BRD4 (0.36) GAA
SCHEMBL12251526 0.63 GAA (0.50) GAANPC1GFERMAPTCCNT1
SCHEMBL11831653 0.63 BRD4 (0.32) GAAMAPTRAB9A
SCHEMBL8747806 0.62 GAA (0.36) GAAMAPT
SCHEMBL9015460 0.62 AURKA (0.31) CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609669-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US disclosed
WO-2012067822-A1 PYRAZOLO [1, 5 -A] PYRIMIDIN POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122888-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 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-20120122888-A1 Potassium Channel Modulators KCNQ1, KCNQ2, KCNJ2 GAA 3330/4885NPC1 493/4885GFER 2453/4885

“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.