SCHEMBL10003159

SCHEMBL10003159

CCOC(=O)c1c(OCC(F)(F)F)c2cc(Nc3ccccc3)c(CC)nc2n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 6/20 0.44
▸ SPR P35270 1/20 0.43
▸ CDC25A P30304 1/20 0.40
▸ CDC25C P30307 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ APBA1 Q02410 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ NPY1R P25929 1/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37

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
SCHEMBL10003284 0.91 ALK (0.38) CDC25BMAPTTP53MEN1KMT2A
SCHEMBL10003245 0.91 MEN1 (0.38) SPRMAPTNPSR1SYKMEN1
SCHEMBL10003616 0.91 CDC25B (0.43) CDC25BCDC25ACDC25CMAPTNPSR1
SCHEMBL10003693 0.91 CDC25B (0.41) CDC25BCDC25ACDC25CATMMAPT
SCHEMBL10002738 0.91 MAPT (0.43) CDC25BMAPTTP53NPSR1MEN1
SCHEMBL10003100 0.90 CDC25B (0.47) CDC25BCDC25ACDC25CMAPTTP53
SCHEMBL10003750 0.90 JAK2 (0.41) CDC25BMAPTTP53SMN1; SMN2TDP1
SCHEMBL10003626 0.89 ALDH1A1 (0.46) CDC25BCDC25ACDC25CMAPTNPSR1
SCHEMBL10003336 0.89 SMN1; SMN2 (0.41) MAPTTP53NPSR1PDE4BMEN1
SCHEMBL10004038 0.88 NPSR1 (0.41) MAPTTP53NPSR1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471789-B9 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-25 — — EP disclosed
EP-2471789-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-09-17 — — EP disclosed
US-8486965-B2 Pyrrolo[2,3-b]pyridine derivative and use thereof for treatment of cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-16 — — US disclosed
US-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471789-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — EP 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-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH CDC25B 1108/4885SPR 1449/4885CDC25A 1052/4885

“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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