SCHEMBL10002937

SCHEMBL10002937

CCOC(=O)c1c(OCC(F)(F)F)c2cc([N+](=O)[O-])c(C)cc2n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.47
▸ PKM P14618 2/20 0.42
▸ POLB P06746 3/20 0.41
▸ NPC1 O15118 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ GALR2 O43603 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ CCR6 P51684 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ CRHBP P24387 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ AR P10275 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
SCHEMBL10004330 0.91 MAPT (0.46) MAPTPKMPOLBNPC1TP53
SCHEMBL10003697 0.83 MAPT (0.43) MAPTPKMPOLBNPC1ALDH1A1
SCHEMBL10003578 0.80 MAPT (0.51) MAPTPKMPOLBNPC1TP53
SCHEMBL10003250 0.78 MAPT (0.42) MAPTPKMPOLBNPC1ALDH1A1
SCHEMBL10004057 0.77 MAPT (0.40) MAPTPKMPOLBNPC1ALDH1A1
SCHEMBL10002923 0.76 MAPT (0.41) MAPTPOLBNPC1TP53ALDH1A1
SCHEMBL10003419 0.76 MAPT (0.43) MAPTPOLBNPC1TP53ALDH1A1
SCHEMBL10004267 0.74 KDM4E (0.38) MAPTNPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL10003465 0.73 MAPT (0.39) MAPTPKMPOLBNPC1TP53
SCHEMBL10004096 0.73 MAPT (0.46) MAPTPKMPOLBNPC1TP53

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 MAPT 4783/4885PKM 4060/4885POLB 4723/4885

“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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