SCHEMBL13220952

SCHEMBL13220952

Cc1cc(Nc2nc(-c3ccccc3)cc3ncnn23)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.53
GSK3A P49840 2/20 0.53
ITK Q08881 1/20 0.49
AURKA O14965 8/20 0.45
AURKB Q96GD4 7/20 0.45
SRC P12931 2/20 0.45
EIF2AK2 P19525 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
IGF1R P08069 4/20 0.41
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13242193 0.87 GSK3A (0.41) GSK3BGSK3AITKAURKAAURKB
SCHEMBL3031556 0.84 GSK3A (0.39) GSK3BGSK3AITKAURKAAURKB
SCHEMBL13221083 0.79 GSK3B (0.53) GSK3BGSK3AITKAURKAAURKB
SCHEMBL3028207 0.79 GSK3B (0.55) GSK3BGSK3AITKAURKAAURKB
SCHEMBL5311550 0.78 KDM4E (0.41) GSK3BGSK3AALDH1A1TSHRMAPK1
SCHEMBL13221325 0.78 GSK3B (0.54) GSK3BGSK3AITKAURKAAURKB
SCHEMBL5317535 0.76 BPTF (0.46) ITKL3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL13220943 0.75 IGF1R (0.45) GSK3BGSK3AITKAURKAAURKB
SCHEMBL5318263 0.75 MAPT (0.41) ALDH1A1TSHRMAPK1KDM4ESMN1; SMN2
SCHEMBL801702 0.74 GSK3B (0.65) GSK3BGSK3AITKAURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 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-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 GSK3B 200/4885GSK3A 217/4885ITK 398/4885

“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.