SCHEMBL13221176

SCHEMBL13221176

Cc1cc(Nc2nc(NC[C@H](O)c3ccccc3)cc3nccn23)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.44
▸ ITK Q08881 1/20 0.39
▸ FAAH O00519 9/20 0.39
▸ JAK2 O60674 4/20 0.38
▸ JAK3 P52333 4/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ AURKA O14965 2/20 0.38
▸ AURKB Q96GD4 2/20 0.38
▸ IGF1R P08069 2/20 0.38
▸ FGFR1 P11362 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ RET P07949 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ FLT1 P17948 1/20 0.38

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
SCHEMBL13221178 1.00 CYP2D6 (0.44) CYP2D6ITKFAAHJAK2JAK3
SCHEMBL13221181 0.83 PRKDC (0.41) ITKJAK2JAK3GSK3BAURKA
SCHEMBL13221173 0.80 IGF1R (0.43) ITKJAK2JAK3GSK3BAURKA
SCHEMBL13221177 0.80 AURKA (0.52) CYP2D6ITKJAK2JAK3GSK3B
SCHEMBL13221184 0.80 IGF1R (0.54) CYP2D6ITKJAK2JAK3GSK3B
SCHEMBL5088387 0.78 CCNA2 (0.59) ITKJAK2AURKAAURKB
SCHEMBL13221083 0.78 GSK3B (0.53) ITKJAK2GSK3BAURKAAURKB
SCHEMBL13221187 0.77 IGF1R (0.44) CYP2D6JAK2JAK3GSK3BAURKA
SCHEMBL13221183 0.76 ITK (0.37) ITKJAK2JAK3GSK3BAURKA
SCHEMBL13221159 0.76 MAPT (0.40) CYP2D6JAK2JAK3GSK3BAURKA

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 CYP2D6 2242/4885ITK 398/4885FAAH 4118/4885

“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.

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