SCHEMBL10293229

SCHEMBL10293229

C#CC1(NC(=O)c2c(OC(C)C)c3c(=O)n(Cc4cccc(Cl)c4)c(CC)nc3n2C)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.39
▸ PTGES O14684 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ TP53 P04637 4/20 0.36
▸ TSHR P16473 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ POLB P06746 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ AVPR1B P47901 1/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ HTR6 P50406 1/20 0.32

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
SCHEMBL11990825 0.88 KMT2A (0.41) KMT2APTGESALDH1A1TP53TSHR
SCHEMBL10292538 0.87 KMT2A (0.40) KMT2APTGESALDH1A1TP53TSHR
SCHEMBL10292545 0.85 KMT2A (0.43) KMT2APTGESALDH1A1TP53TSHR
SCHEMBL10292993 0.84 ALDH1A1 (0.40) KMT2AALDH1A1TP53TSHRALOX15
SCHEMBL10292521 0.84 KMT2A (0.42) KMT2APTGESALDH1A1TP53TSHR
SCHEMBL11990832 0.83 KMT2A (0.39) KMT2APTGESALDH1A1TP53TSHR
SCHEMBL11990856 0.82 KMT2A (0.43) KMT2APTGESALDH1A1TP53TSHR
SCHEMBL10003686 0.82 PTGES (0.48) KMT2APTGESALDH1A1TP53TSHR
SCHEMBL10004586 0.82 KMT2A (0.48) KMT2APTGESALDH1A1TP53TSHR
SCHEMBL10292544 0.82 KMT2A (0.42) KMT2APTGESALDH1A1TP53TSHR

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 KMT2A 423/4885PTGES 1468/4885ALDH1A1 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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