SCHEMBL10003284

SCHEMBL10003284

CCOC(=O)c1c(OCC(F)(F)F)c2cc(Nc3ccc(Cl)cc3)c(CC)nc2n1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 1/20 0.38
▸ FGFR1 P11362 1/20 0.37
▸ CDC25B P30305 2/20 0.37
▸ MAPT P10636 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ EHMT2 Q96KQ7 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL10003159 0.91 CDC25B (0.44) CDC25BMAPTTP53MEN1KMT2A
SCHEMBL10003616 0.91 CDC25B (0.43) FGFR1CDC25BMAPTLMNARXFP1
SCHEMBL10003693 0.91 CDC25B (0.41) CDC25BMAPTRXFP1TP53DHODH
SCHEMBL10003518 0.90 RORC (0.38) MAPTLMNAEHMT2MEN1KMT2A
SCHEMBL10002933 0.89 ALDH1A1 (0.40) MAPTLMNAKDM4EALDH1A1RAB9A
SCHEMBL10003750 0.88 JAK2 (0.41) FGFR1CDC25BMAPTTP53ALDH1A1
SCHEMBL10003100 0.85 CDC25B (0.47) CDC25BMAPTTP53KDM4E
SCHEMBL10004077 0.85 GABRA2 (0.41) MAPTLMNARXFP1TP53KDM4E
SCHEMBL10003626 0.84 ALDH1A1 (0.46) CDC25BMAPTLMNARXFP1ALDH1A1
SCHEMBL10002738 0.82 MAPT (0.43) CDC25BMAPTLMNATP53KDM4E

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 ALK 585/4885FGFR1 103/4885CDC25B 1108/4885

“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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