SCHEMBL10003062

SCHEMBL10003062

CCOC(=O)c1c(OCC(F)(F)F)c2cc(NC(=O)c3ccc(F)cc3)c(CC)nc2n1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ADORA2A P29274 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ ADORA3 P0DMS8 3/20 0.40
▸ ADORA1 P30542 3/20 0.40
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ POLB P06746 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10004429 0.93 LMNA (0.51) LMNAKDM4EADORA2AALDH1A1HPGD
SCHEMBL10002933 0.92 ALDH1A1 (0.40) LMNAKDM4EALDH1A1HPGDMAPT
SCHEMBL10003336 0.92 SMN1; SMN2 (0.41) LMNAKDM4EADORA2AALDH1A1HPGD
SCHEMBL10003799 0.92 NPC1 (0.43) LMNAKDM4EALDH1A1HPGDMAPT
SCHEMBL10004018 0.91 ALDH1A1 (0.41) LMNAKDM4EALDH1A1HPGDMAPT
SCHEMBL10003698 0.91 KDM4E (0.48) LMNAKDM4EADORA2AALDH1A1HPGD
SCHEMBL10003859 0.91 SMN1; SMN2 (0.51) LMNAKDM4EALDH1A1MAPTTSHR
SCHEMBL10002887 0.87 ELANE (0.35) LMNAKDM4EALDH1A1HPGDMAPT
SCHEMBL10004017 0.87 SMN1; SMN2 (0.44) LMNAKDM4EALDH1A1HPGDMAPT
SCHEMBL10004404 0.87 PTK2 (0.42) LMNAKDM4EADORA2AALDH1A1HPGD

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 LMNA 4452/4885KDM4E 405/4885ADORA2A 1506/4885

“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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