SCHEMBL10004728

SCHEMBL10004728

COc1cccc(Cn2c(C)nc3c(c(OCC(F)(F)F)c(C(=O)O)n3C)c2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ CYP3A4 P08684 8/20 0.43
▸ CYP2C9 P11712 8/20 0.43
▸ CYP1A2 P05177 7/20 0.43
▸ CYP2C19 P33261 7/20 0.43
▸ USP2 O75604 7/20 0.43
▸ TSHR P16473 5/20 0.43
▸ PCSK9 Q8NBP7 4/20 0.43
▸ CYP2D6 P10635 4/20 0.43
▸ LMNA P02545 4/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ RECQL P46063 1/20 0.42

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
SCHEMBL10004565 0.91 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL10004766 0.90 NPSR1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2USP2
SCHEMBL10003653 0.90 KMT2A (0.47) ALDH1A1MEN1KMT2APCSK9LMNA
SCHEMBL10004584 0.90 BLM (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2USP2
SCHEMBL10004555 0.89 KMT2A (0.49) ALDH1A1MEN1KMT2ATSHRGAA
SCHEMBL10004150 0.84 NPSR1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL10004100 0.84 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL10004896 0.82 SMO (0.55) ALDH1A1SMN1; SMN2
SCHEMBL10004065 0.81 KMT2A (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL1060988 0.81 SMO (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2PCSK9

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 ALDH1A1 321/4885MEN1 335/4885KMT2A 423/4885

“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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