SCHEMBL10292519

SCHEMBL10292519

CCc1nc2c(c(OC(C)C)c(C(=O)NCCN3CCCC3=O)n2C)c(=O)n1Cc1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TYRO3 Q06418 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ PTGES O14684 3/20 0.38
▸ GAA P10253 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ TP53 P04637 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ADORA3 P0DMS8 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ CASP1 P29466 2/20 0.36
▸ CASP7 P55210 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MAOB P27338 1/20 0.36
▸ ADORA2A P29274 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
SCHEMBL10292459 0.90 CACNA1G (0.45) KMT2AALDH1A1PTGESTP53NPSR1
SCHEMBL11990823 0.86 KMT2A (0.42) P2RX3KMT2AALDH1A1KDM4EPTGES
SCHEMBL10292992 0.86 BRD4 (0.43) KMT2AALDH1A1KDM4EPTGESGAA
SCHEMBL10003777 0.85 KMT2A (0.41) KMT2AALDH1A1KDM4EPTGESGAA
SCHEMBL10292521 0.84 KMT2A (0.42) KMT2AALDH1A1PTGESGAAMAPT
SCHEMBL11990856 0.84 KMT2A (0.43) KMT2AALDH1A1KDM4EPTGESGAA
SCHEMBL10292545 0.84 KMT2A (0.43) KMT2AALDH1A1KDM4EPTGESGAA
SCHEMBL10003686 0.84 PTGES (0.48) KMT2AALDH1A1KDM4EPTGESGAA
SCHEMBL10292544 0.83 KMT2A (0.42) KMT2AALDH1A1KDM4EPTGESGAA
SCHEMBL10292994 0.83 KMT2A (0.40) KMT2AALDH1A1KDM4EPTGESGAA

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 P2RX3 3582/4885KMT2A 423/4885TYRO3 1343/4885

“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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