SCHEMBL10003502

SCHEMBL10003502

CCc1nc2c(cc1NC(=O)c1ccco1)c(OCC(F)(F)F)c(C(=O)O)n2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.40
▸ POLB P06746 3/20 0.40
▸ ALDH1A1 P00352 9/20 0.40
▸ HPGD P15428 5/20 0.40
▸ LMNA P02545 4/20 0.40
▸ KDM4E B2RXH2 7/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HSD17B10 Q99714 4/20 0.39
▸ TP53 P04637 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ CYP3A4 P08684 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
SCHEMBL10003229 0.91 RAB9A (0.46) TSHRPOLBALDH1A1HPGDLMNA
SCHEMBL10003404 0.87 HTT (0.40) ALDH1A1HPGDLMNAKDM4ESMN1; SMN2
SCHEMBL10003422 0.85 PTK2 (0.41) ALDH1A1HPGDLMNASMN1; SMN2GAA
SCHEMBL10003839 0.84 MAPT (0.41) ALDH1A1LMNASMN1; SMN2GAARAB9A
SCHEMBL10003998 0.84 SMO (0.50) ALDH1A1NPC1KMT2A
SCHEMBL10002857 0.84 L3MBTL1 (0.44) POLBALDH1A1HPGDLMNAKDM4E
SCHEMBL10004018 0.83 ALDH1A1 (0.41) TSHRPOLBALDH1A1HPGDLMNA
SCHEMBL10003027 0.83 MET (0.36) TSHRPOLBKDM4ESMN1; SMN2GAA
SCHEMBL10003789 0.83 ALDH1A1 (0.42) TSHRPOLBALDH1A1HPGDLMNA
SCHEMBL10003069 0.83 SMN1; SMN2 (0.41) TSHRPOLBALDH1A1LMNAKDM4E

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 TSHR 2374/4885POLB 4723/4885ALDH1A1 321/4885

“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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