SCHEMBL10004202

SCHEMBL10004202

CCc1nc2c(cc1NC(=O)c1ccsc1)c(OCC(F)(F)F)c(C(=O)O)n2C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ INSR P06213 1/20 0.32
▸ ITK Q08881 1/20 0.32
▸ LCK P06239 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ TRPA1 O75762 2/20 0.32
▸ KCNK3 O14649 1/20 0.32
▸ KCNK9 Q9NPC2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ AXL P30530 1/20 0.31
▸ RXRA P19793 1/20 0.31
▸ SMO Q99835 1/20 0.31
▸ TEK Q02763 1/20 0.31

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
SCHEMBL10002887 0.92 ELANE (0.35) ELANEHPGDLCKNPC1RAB9A
SCHEMBL10003404 0.89 HTT (0.40) HPGDKCNK3KCNK9NPC1RAB9A
SCHEMBL10004018 0.87 ALDH1A1 (0.41) HPGDTRPA1NPC1RAB9AMAPT
SCHEMBL10003167 0.86 F10 (0.40) HPGDRAB9AMAPT
SCHEMBL10004022 0.85 MAP3K5 (0.36) INSRITKTRPA1
SCHEMBL10003568 0.85 NPC1 (0.44) HPGDNPC1RAB9AMAPT
SCHEMBL10003577 0.85 HPGD (0.36) GRM5HPGDCASP3SENP8SENP7
SCHEMBL10003422 0.85 PTK2 (0.41) HPGDINSRITKLCKKCNK3
SCHEMBL10003069 0.85 SMN1; SMN2 (0.41) NPC1RAB9ATEKMAPT
SCHEMBL10003789 0.85 ALDH1A1 (0.42) HPGDTRPA1NPC1RAB9AMAPT

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 ELANE 4378/4885GRM5 1656/4885HPGD 539/4885

“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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