SCHEMBL10003447

SCHEMBL10003447

CCOC(=O)c1c(OC(C)C)c2nc(NC(=O)c3ccc(F)cc3)c(CC)nc2n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ADORA2A P29274 4/20 0.42
▸ ADORA3 P0DMS8 3/20 0.42
▸ ADORA1 P30542 3/20 0.42
▸ BRAF P15056 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ GABRB2 P47870 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
SCHEMBL10003034 0.91 HTT (0.44) KDM4EMAPTALDH1A1HPGDADORA2A
SCHEMBL10003385 0.91 TMIGD3 (0.38) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL10003836 0.84 ADORA2A (0.44) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL10003487 0.84 LMNA (0.48) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL10003388 0.83 GABRA2 (0.45) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL10002910 0.82 BRPF1 (0.40) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL10003735 0.81 HTT (0.45) MAPTALDH1A1HPGDADORA2AADORA3
SCHEMBL10003380 0.78 KDM4E (0.49) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL10004349 0.78 HTT (0.44) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL10003428 0.77 POLB (0.35) KDM4ELMNAMAPTALDH1A1HPGD

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 405/4885LMNA 4452/4885MAPT 4783/4885

“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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