SCHEMBL10003616

SCHEMBL10003616

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 5/20 0.43
▸ MAPT P10636 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ FGFR1 P11362 1/20 0.40
▸ CDC25A P30304 1/20 0.40
▸ CDC25C P30307 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ ALOX5 P09917 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PTGES O14684 1/20 0.38
▸ P2RY12 Q9H244 2/20 0.37
▸ CACNA1B Q00975 1/20 0.37
▸ APBA1 Q02410 1/20 0.37
▸ NPSR1 Q6W5P4 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) CDC25BMAPTKDM4EALDH1A1FGFR1
SCHEMBL10003818 0.91 MEN1 (0.38) MAPTKDM4EALDH1A1LMNARAB9A
SCHEMBL10003159 0.91 CDC25B (0.44) CDC25BMAPTCDC25ACDC25CSYK
SCHEMBL10003100 0.89 CDC25B (0.47) CDC25BMAPTKDM4ECDC25ACDC25C
SCHEMBL10003750 0.87 JAK2 (0.41) CDC25BMAPTALDH1A1FGFR1NPC1
SCHEMBL10003693 0.85 CDC25B (0.41) CDC25BMAPTCDC25ACDC25CRXFP1
SCHEMBL10003626 0.83 ALDH1A1 (0.46) CDC25BMAPTALDH1A1CDC25ACDC25C
SCHEMBL10002738 0.83 MAPT (0.43) CDC25BMAPTKDM4EALDH1A1TRPV1
SCHEMBL10002933 0.83 ALDH1A1 (0.40) MAPTKDM4EALDH1A1LMNANPC1
SCHEMBL10003245 0.82 MEN1 (0.38) MAPTSYKLMNARXFP1SMN1; SMN2

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 1108/4885MAPT 4783/4885KDM4E 405/4885

“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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