SCHEMBL10003692

SCHEMBL10003692

CCOC(=O)c1c(OC(C)C)c2cc(NC(=O)c3ccc(Cl)s3)c(CC)nc2n1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.48
▸ ALDH1A1 P00352 11/20 0.44
▸ SMN1; SMN2 Q16637 8/20 0.44
▸ MEN1 O00255 8/20 0.44
▸ KMT2A Q03164 8/20 0.44
▸ HPGD P15428 7/20 0.44
▸ NPC1 O15118 7/20 0.44
▸ RAB9A P51151 7/20 0.44
▸ TP53 P04637 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ KDM4E B2RXH2 9/20 0.41
▸ MAPT P10636 5/20 0.38
▸ THRB P10828 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ F2 P00734 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ F11 P03951 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ALOX15 P16050 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
SCHEMBL10003724 0.91 ALDH1A1 (0.40) NPSR1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10003458 0.86 HSD17B10 (0.50) NPSR1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10003283 0.84 BRPF1 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL10003129 0.84 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL10003372 0.83 ELANE (0.36) NPSR1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10292514 0.83 F10 (0.39) ALDH1A1SMN1; SMN2HPGDTP53MAPT
SCHEMBL10003487 0.83 LMNA (0.48) NPSR1ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL10002999 0.81 F10 (0.40) HPGDHSD17B10KDM4EF2F10
SCHEMBL10003111 0.79 MAPT (0.37) NPSR1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10004164 0.76 BRPF1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD

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 NPSR1 2438/4885ALDH1A1 321/4885SMN1; SMN2 3164/4885

“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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