SCHEMBL10004017

SCHEMBL10004017

CCOC(=O)c1c(OCC(F)(F)F)c2cc(NC(=O)c3ccccc3F)c(CC)nc2n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ LMNA P02545 4/20 0.42
▸ KDM4E B2RXH2 5/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ MRGPRX1 Q96LB2 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL10002857 0.91 L3MBTL1 (0.44) LMNAKDM4EKMT2AHPGDMEN1
SCHEMBL10003336 0.90 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL10003125 0.88 RAB9A (0.42) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL10003062 0.87 LMNA (0.46) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL10003859 0.87 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL10002933 0.85 ALDH1A1 (0.40) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL10002738 0.85 MAPT (0.43) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL10002880 0.85 TSHR (0.47) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL10003229 0.85 RAB9A (0.46) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL10003799 0.84 NPC1 (0.43) SMN1; SMN2NPC1RAB9ALMNAKDM4E

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 3164/4885NPC1 1300/4885RAB9A 1389/4885

“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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