SCHEMBL10003129

SCHEMBL10003129

CCOC(=O)c1c(OC(C)C)c2cc(NC(=O)c3sccc3Cl)c(CC)nc2n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 8/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ F10 P00742 2/20 0.37
▸ PKM P14618 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ TP53 P04637 3/20 0.34
▸ PRSS12 P56730 2/20 0.34

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
SCHEMBL10003373 0.91 PRSS12 (0.38) ALDH1A1HSD17B10KMT2ATSHRMEN1
SCHEMBL10003458 0.85 HSD17B10 (0.50) ALDH1A1HSD17B10KMT2ATSHRMEN1
SCHEMBL10003692 0.84 NPSR1 (0.48) ALDH1A1HSD17B10KMT2ATSHRMEN1
SCHEMBL10003372 0.84 ELANE (0.36) ALDH1A1HSD17B10KMT2ATSHRMEN1
SCHEMBL10003283 0.84 BRPF1 (0.45) ALDH1A1KMT2AMEN1HPGDKDM4E
SCHEMBL10003487 0.82 LMNA (0.48) ALDH1A1TSHRHPGDKDM4EMAPT
SCHEMBL10003968 0.81 SMO (0.36) ALDH1A1HSD17B10HPGDKDM4ESMN1; SMN2
SCHEMBL10003111 0.79 MAPT (0.37) ALDH1A1HSD17B10KMT2ATSHRMEN1
SCHEMBL10004164 0.75 BRPF1 (0.47) ALDH1A1KMT2ATSHRMEN1HPGD
SCHEMBL10003652 0.75 MAPT (0.44) ALDH1A1HSD17B10KMT2ATSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471789-B9 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-25 — — EP disclosed
EP-2471789-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-09-17 — — EP disclosed
US-8486965-B2 Pyrrolo[2,3-b]pyridine derivative and use thereof for treatment of cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-16 — — US disclosed
US-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471789-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-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH ALDH1A1 321/4885HSD17B10 1201/4885KMT2A 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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