SCHEMBL10003992

SCHEMBL10003992

CCc1nc2c(cc1Nc1ccccc1OC)c(OCC(F)(F)F)c(C(=O)O)n2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ AKR1C3 P42330 2/20 0.38
▸ AKR1C2 P52895 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ MAPK8 P45983 2/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ CAMKK2 Q96RR4 1/20 0.36
▸ GLA P06280 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ AURKA O14965 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35

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
SCHEMBL10003626 0.91 ALDH1A1 (0.46) ALDH1A1MAPTRXFP1KMT2AMEN1
SCHEMBL10003245 0.89 MEN1 (0.38) MAPTRXFP1KMT2AMEN1SMN1; SMN2
SCHEMBL10003155 0.88 P2RX7 (0.37) CNR2ALDH1A1MAPTKMT2AMEN1
SCHEMBL10003604 0.87 AKR1C3 (0.41) CNR2ALDH1A1AKR1C3AKR1C2KMT2A
SCHEMBL10003601 0.86 ATM (0.39) CNR2AKR1C3AKR1C2MAPTKMT2A
SCHEMBL10003039 0.85 SCN9A (0.41) ALDH1A1AKR1C3AKR1C2MAPTKMT2A
SCHEMBL10003404 0.84 HTT (0.40) ALDH1A1MAPTKMT2AMEN1SCN9A
SCHEMBL10003027 0.84 MET (0.36) MAPTRXFP1KMT2AMEN1SMN1; SMN2
SCHEMBL10003986 0.83 KMT2A (0.46) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL10003518 0.83 RORC (0.38) AKR1C3AKR1C2MAPTKMT2AMEN1

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 CNR2 1272/4885ALDH1A1 321/4885AKR1C3 1934/4885

“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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