SCHEMBL10003693

SCHEMBL10003693

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 2/20 0.41
▸ CDC25A P30304 1/20 0.41
▸ CDC25C P30307 1/20 0.41
▸ PDE4B Q07343 1/20 0.40
▸ SLC2A1 P11166 2/20 0.40
▸ TP53 P04637 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 2/20 0.38
▸ RXFP1 Q9HBX9 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ERBB3 P21860 1/20 0.37
▸ GAA P10253 1/20 0.36

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
SCHEMBL10003100 0.91 CDC25B (0.47) CDC25BCDC25ACDC25CPDE4BTP53
SCHEMBL10003284 0.91 ALK (0.38) CDC25BTP53KDRMAPTMEN1
SCHEMBL10003159 0.91 CDC25B (0.44) CDC25BCDC25ACDC25CPDE4BTP53
SCHEMBL10003601 0.91 ATM (0.39) SLC2A1MAPTMEN1KMT2APOLB
SCHEMBL10003799 0.89 NPC1 (0.43) NPSR1MAPTMEN1KMT2ARXFP1
SCHEMBL10003626 0.86 ALDH1A1 (0.46) CDC25BCDC25ACDC25CNPSR1MAPT
SCHEMBL12003592 0.85 POLB (0.42) MAPTMEN1KMT2APOLBRXFP1
SCHEMBL10003616 0.85 CDC25B (0.43) CDC25BCDC25ACDC25CNPSR1MAPT
SCHEMBL10003750 0.84 JAK2 (0.41) CDC25BTP53MAPTDHODHSMN1; SMN2
SCHEMBL10003604 0.81 AKR1C3 (0.41) PDE4BMEN1KMT2ADHODHGAA

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.

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