SCHEMBL3037801

SCHEMBL3037801

Cc1cc(Nc2nc(Cl)cc3nccn23)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PAK4 O96013 3/20 0.41
PLK4 O00444 2/20 0.41
AURKA O14965 8/20 0.40
JAK2 O60674 4/20 0.40
AURKB Q96GD4 4/20 0.40
GSK3B P49841 4/20 0.40
FGFR1 P11362 3/20 0.40
JAK3 P52333 3/20 0.40
IGF1R P08069 3/20 0.40
RET P07949 2/20 0.40
KDR P35968 2/20 0.40
FLT3 P36888 2/20 0.40
PTK2 Q05397 2/20 0.40
TNK2 Q07912 2/20 0.40
DAPK3 O43293 1/20 0.40
ABL1 P00519 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
SCHEMBL3042402 0.81 PAK1 (0.46) PAK4IGF1RNTRK1
SCHEMBL13221083 0.81 GSK3B (0.53) PLK4AURKAJAK2AURKBGSK3B
SCHEMBL5095246 0.80 ITK (0.44) MEN1HTTKMT2AHSD17B10AURKA
SCHEMBL3031923 0.79 IGF1R (0.45) PAK4PLK4AURKAJAK2AURKB
SCHEMBL13220902 0.79 IGF1R (0.45) PAK4PLK4AURKAJAK2AURKB
SCHEMBL3040351 0.78 MEN1 (0.46) MEN1HTTKMT2AHSD17B10PAK4
SCHEMBL3044547 0.78 SYK (0.33) PLK4AURKAJAK2AURKBGSK3B
SCHEMBL3042183 0.78 AURKA (0.50) PAK4PLK4AURKAJAK2AURKB
SCHEMBL13221166 0.78 PLK4 (0.42) MEN1HTTKMT2AHSD17B10PAK4
SCHEMBL13220896 0.77 SYK (0.42) PLK4AURKAJAK2AURKBGSK3B

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-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
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 EP disclosed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO disclosed
US-20060084650-A1 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-20 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 (2 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-20060084650-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 MEN1 1423/4885HTT 4414/4885KMT2A 1184/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 MEN1 1423/4885HTT 4414/4885KMT2A 1184/4885

“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.