SCHEMBL10004533

SCHEMBL10004533

CCOC(=O)c1c(O)c2c(Cl)nc(SC)nc2n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.40
▸ TSHR P16473 4/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ GAA P10253 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33

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
SCHEMBL10004189 0.85 TAS2R14 (0.41) MAPTTSHRNPSR1KMT2AMEN1
SCHEMBL10004112 0.85 MAPT (0.40) MAPTMAPK1KMT2AMEN1ALDH1A1
SCHEMBL10004705 0.83 KMT2A (0.43) MAPTTSHRLMNAMAPK1KMT2A
SCHEMBL10003848 0.81 MAPT (0.37) MAPTMAPK1KMT2AALDH1A1GAA
SCHEMBL10004491 0.80 HPGD (0.35) MAPTTSHRLMNAMAPK1NPSR1
SCHEMBL537829 0.74 MAPT (0.48) MAPTTSHRLMNAMAPK1NPSR1
SCHEMBL10004287 0.71 KMT2A (0.38) MAPTLMNAMAPK1KMT2AALDH1A1
SCHEMBL31144888 0.71 KMT2A (0.43) MAPTLMNAMAPK1KMT2AMEN1
SCHEMBL6220079 0.70 CYP1A2 (0.47) MAPTLMNAMAPK1KMT2AMEN1
SCHEMBL1298575 0.69 LMNA (0.44) MAPTTSHRLMNAMAPK1NPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471793-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-10-05 — — EP disclosed
US-8614208-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-24 — — US disclosed
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — US disclosed
EP-2471793-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-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH MAPT 4783/4885TSHR 2374/4885LMNA 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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