SCHEMBL10003245

SCHEMBL10003245

CCc1nc2c(cc1Nc1ccccc1)c(OCC(F)(F)F)c(C(=O)O)n2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ S1PR2 O95136 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36
▸ GSK3A P49840 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ SPR P35270 1/20 0.35
▸ SMO Q99835 1/20 0.34

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
SCHEMBL10003518 0.92 RORC (0.38) MEN1KMT2ALMNAMAPTIDO1
SCHEMBL10003818 0.91 MEN1 (0.38) MEN1KMT2ALMNAGAAMAPT
SCHEMBL10003159 0.91 CDC25B (0.44) MEN1KMT2ATDP1GAAMAPT
SCHEMBL10003601 0.91 ATM (0.39) MEN1KMT2ALMNAMAPTPAX8
SCHEMBL10003604 0.90 AKR1C3 (0.41) MEN1KMT2AGAAHTTPDE4A
SCHEMBL10003155 0.90 P2RX7 (0.37) MEN1KMT2ALMNAS1PR2S1PR4
SCHEMBL10003986 0.90 KMT2A (0.46) MEN1KMT2ALMNAS1PR2S1PR4
SCHEMBL10003992 0.89 CNR2 (0.39) MEN1KMT2AMAPTSMN1; SMN2RXFP1
SCHEMBL10003027 0.87 MET (0.36) MEN1KMT2AL3MBTL1GAAMAPT
SCHEMBL10003404 0.87 HTT (0.40) MEN1KMT2ALMNATDP1GAA

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 MEN1 335/4885KMT2A 423/4885LMNA 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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