SCHEMBL10004944

SCHEMBL10004944

CCOC(=O)c1c(OC(C)C)c2c(=O)n(Cc3cccc(Cl)c3)c(CC)nc2n1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TP53 P04637 3/20 0.40
▸ PTGES O14684 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ P2RX3 P56373 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GABRA2 P47869 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
SCHEMBL10004586 0.91 KMT2A (0.48) KMT2AALDH1A1MEN1HPGDLMNA
SCHEMBL10004234 0.90 KMT2A (0.50) KMT2ASMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL11990855 0.90 KMT2A (0.47) KMT2AALDH1A1HPGDLMNANPSR1
SCHEMBL10003686 0.86 PTGES (0.48) KMT2AALDH1A1KDM4EMEN1HPGD
SCHEMBL10292542 0.85 KMT2A (0.44) KMT2AALDH1A1HPGDLMNANPSR1
SCHEMBL11990856 0.85 KMT2A (0.43) KMT2AALDH1A1KDM4EMEN1HPGD
SCHEMBL10292840 0.85 PTGES (0.43) KMT2AALDH1A1KDM4EMEN1HPGD
SCHEMBL10292545 0.85 KMT2A (0.43) KMT2AALDH1A1KDM4EMEN1HPGD
SCHEMBL11990820 0.85 KMT2A (0.43) KMT2AALDH1A1HPGDLMNANPSR1
SCHEMBL11990835 0.84 PTGES (0.46) KMT2AALDH1A1KDM4EMEN1HPGD

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 KMT2A 423/4885SMN1; SMN2 3164/4885ALDH1A1 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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