SCHEMBL10002857

SCHEMBL10002857

CCc1nc2c(cc1NC(=O)c1ccccc1F)c(OCC(F)(F)F)c(C(=O)O)n2C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MRGPRX1 Q96LB2 2/20 0.41
▸ LMNA P02545 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ DHODH Q02127 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ PTPN1 P18031 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
SCHEMBL10004017 0.91 SMN1; SMN2 (0.44) L3MBTL1GAAKDM4EHPGDMRGPRX1
SCHEMBL10003404 0.89 HTT (0.40) GAAKDM4EHPGDMRGPRX1LMNA
SCHEMBL10003839 0.87 MAPT (0.41) GAALMNAMEN1KMT2AALDH1A1
SCHEMBL10004018 0.86 ALDH1A1 (0.41) KDM4EHPGDMRGPRX1LMNAMEN1
SCHEMBL10003069 0.85 SMN1; SMN2 (0.41) L3MBTL1KDM4EMRGPRX1LMNAMEN1
SCHEMBL10003986 0.85 KMT2A (0.46) GAAKDM4ELMNAMEN1KMT2A
SCHEMBL10003502 0.84 TSHR (0.40) GAAKDM4EHPGDLMNAMEN1
SCHEMBL10003789 0.84 ALDH1A1 (0.42) L3MBTL1KDM4EHPGDLMNARXFP1
SCHEMBL10003245 0.84 MEN1 (0.38) L3MBTL1GAALMNARXFP1MEN1
SCHEMBL10003318 0.84 SMO (0.52) MRGPRX1MEN1KMT2A

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 L3MBTL1 2806/4885GAA 3144/4885KDM4E 405/4885

“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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