SCHEMBL10292992

SCHEMBL10292992

CCc1nc2c(c(OC(C)C)c(C(=O)NCCN(C)C)n2C)c(=O)n1Cc1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MAOB P27338 1/20 0.40
▸ PTGES O14684 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CACNA1G O43497 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ THRB P10828 1/20 0.36

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
SCHEMBL10003777 0.93 KMT2A (0.41) BRD4KMT2APTGESPOLBMAPT
SCHEMBL11990823 0.90 KMT2A (0.42) KMT2APTGESPOLBMAPTALDH1A1
SCHEMBL10292994 0.90 KMT2A (0.40) KMT2APTGESPOLBMAPTALDH1A1
SCHEMBL10292459 0.88 CACNA1G (0.45) KMT2APTGESPOLBALDH1A1TP53
SCHEMBL11990820 0.88 KMT2A (0.43) KMT2APTGESPOLBMAPTALDH1A1
SCHEMBL11990856 0.88 KMT2A (0.43) KMT2APTGESPOLBMAPTALDH1A1
SCHEMBL10292545 0.88 KMT2A (0.43) KMT2APTGESPOLBMAPTALDH1A1
SCHEMBL10292544 0.87 KMT2A (0.42) KMT2APTGESPOLBMAPTALDH1A1
SCHEMBL10003686 0.86 PTGES (0.48) KMT2APTGESPOLBMAPTALDH1A1
SCHEMBL10292519 0.86 P2RX3 (0.39) KMT2AMAOBPTGESPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BRD4 317/4885KMT2A 423/4885MAOB 2160/4885

“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.

Send feedback