SCHEMBL10003986

SCHEMBL10003986

CCc1nc2c(cc1NC(=O)Nc1ccccc1)c(OCC(F)(F)F)c(C(=O)O)n2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ LMNA P02545 4/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ PAX8 Q06710 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ S1PR2 O95136 1/20 0.46
▸ S1PR4 O95977 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ XBP1 P17861 1/20 0.46
▸ S1PR3 Q99500 1/20 0.46
▸ S1PR5 Q9H228 1/20 0.46
▸ MAPK14 Q16539 3/20 0.40
▸ P2RY1 P47900 3/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ NTRK2 Q16620 1/20 0.38
▸ IGF1R P08069 4/20 0.38
▸ GRIK1 P39086 1/20 0.37

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
SCHEMBL10002738 0.91 MAPT (0.43) KMT2AMEN1LMNANPSR1MAPT
SCHEMBL10003245 0.90 MEN1 (0.38) KMT2AMEN1LMNANPSR1MAPT
SCHEMBL10003404 0.88 HTT (0.40) KMT2AMEN1LMNAMAPTHTT
SCHEMBL10003839 0.86 MAPT (0.41) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL10002857 0.85 L3MBTL1 (0.44) KMT2AMEN1LMNAGAAKDM4E
SCHEMBL10003027 0.84 MET (0.36) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL10003155 0.84 P2RX7 (0.37) KMT2AMEN1LMNANPSR1MAPT
SCHEMBL10003818 0.83 MEN1 (0.38) KMT2AMEN1LMNANPSR1MAPT
SCHEMBL10003187 0.83 SMO (0.54) —
SCHEMBL10004018 0.83 ALDH1A1 (0.41) KMT2AMEN1LMNAMAPTKDM4E

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 KMT2A 423/4885MEN1 335/4885LMNA 4452/4885

“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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