SCHEMBL10003145

SCHEMBL10003145

CCOC(=O)c1c(OCC(F)(F)F)c2cc(-c3cccnc3)c(CC)nc2n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ CDC7 O00311 2/20 0.41
▸ DBF4 Q9UBU7 2/20 0.41
▸ DCTPP1 Q9H773 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ UBE2N P61088 1/20 0.39
▸ ACHE P22303 2/20 0.38
▸ TEK Q02763 1/20 0.38
▸ POLB P06746 2/20 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
SCHEMBL10003156 0.91 KDM4E (0.41) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL10004257 0.90 KDM4E (0.38) KDM4EALDH1A1HPGDSMN1; SMN2CDC7
SCHEMBL10003679 0.90 MLYCD (0.40) KDM4EALDH1A1HPGDCDC7DBF4
SCHEMBL10004342 0.88 CSNK1D (0.43) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL10003298 0.87 ALDH1A1 (0.37) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL10003955 0.87 ALDH1A1 (0.40) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL10004644 0.87 ALDH1A1 (0.37) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL10003348 0.86 ALDH1A1 (0.44) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL10003637 0.86 MAPT (0.40) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL10003738 0.86 MAPT (0.44) KDM4EALDH1A1HPGDSMN1; SMN2MAPT

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 KDM4E 405/4885ALDH1A1 321/4885HPGD 539/4885

“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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