SCHEMBL10003462

SCHEMBL10003462

CCOc1c(C(=O)O)n(C)c2nc(CC)c(NC(=O)c3ccccc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 0.47
▸ MAPT P10636 5/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ GAA P10253 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ RIN1 Q13671 1/20 0.47
▸ NPC1 O15118 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43

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
SCHEMBL10003091 0.92 ADORA2A (0.45) SMN1; SMN2MAPTALDH1A1GAARAB9A
SCHEMBL10003117 0.91 LMNA (0.42) SMN1; SMN2MAPTALDH1A1GAARAB9A
SCHEMBL10003404 0.90 HTT (0.40) SMN1; SMN2MAPTALDH1A1GAARAB9A
SCHEMBL10004164 0.89 BRPF1 (0.47) SMN1; SMN2MAPTALDH1A1GAARAB9A
SCHEMBL10003336 0.84 SMN1; SMN2 (0.41) SMN1; SMN2MAPTALDH1A1GAARAB9A
SCHEMBL10004018 0.83 ALDH1A1 (0.41) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL10003069 0.83 SMN1; SMN2 (0.41) SMN1; SMN2MAPTALDH1A1RAB9AMEN1
SCHEMBL10003283 0.82 BRPF1 (0.45) SMN1; SMN2MAPTALDH1A1GAARAB9A
SCHEMBL10003167 0.82 F10 (0.40) SMN1; SMN2MAPTALDH1A1GAARAB9A
SCHEMBL10004429 0.82 LMNA (0.51) SMN1; SMN2MAPTALDH1A1RAB9AMEN1

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 SMN1; SMN2 3164/4885MAPT 4783/4885ALDH1A1 321/4885

“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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