SCHEMBL10003100

SCHEMBL10003100

CCOC(=O)c1c(OCC(F)(F)F)c2cc(Nc3cccc(OC)c3)c(CC)nc2n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 6/20 0.47
▸ CDC25A P30304 1/20 0.47
▸ CDC25C P30307 1/20 0.47
▸ EGFR P00533 1/20 0.45
▸ ERBB3 P21860 1/20 0.45
▸ TP53 P04637 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MTNR1B P49286 1/20 0.39
▸ ALPL P05186 1/20 0.39
▸ ALPI P09923 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ GAK O14976 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ P2RY12 Q9H244 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
SCHEMBL10003693 0.91 CDC25B (0.41) CDC25BCDC25ACDC25CEGFRERBB3
SCHEMBL10003604 0.91 AKR1C3 (0.41) MTNR1BALPLALPIPDE4BGAK
SCHEMBL10003159 0.90 CDC25B (0.44) CDC25BCDC25ACDC25CTP53MAPT
SCHEMBL10003616 0.89 CDC25B (0.43) CDC25BCDC25ACDC25CMAPTKDM4E
SCHEMBL10003626 0.88 ALDH1A1 (0.46) CDC25BCDC25ACDC25CMAPTUSP2
SCHEMBL10003284 0.85 ALK (0.38) CDC25BTP53MAPTKDM4E
SCHEMBL10003525 0.84 MAPT (0.39) CDC25BCDC25ACDC25CEGFRERBB3
SCHEMBL10003738 0.84 MAPT (0.44) TP53MAPTKDM4E
SCHEMBL10003799 0.84 NPC1 (0.43) MAPTKDM4ECYP2C19
SCHEMBL10003750 0.83 JAK2 (0.41) CDC25BTP53MAPTP2RY12

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 1108/4885CDC25A 1052/4885CDC25C 670/4885

“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.

Send feedback