SCHEMBL10004423

SCHEMBL10004423

CCc1cc2c(nc1NC(=O)c1cccs1)c(OC(C)C)c(C(=O)O)n2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.42
▸ NPC1 O15118 6/20 0.42
▸ MAPT P10636 9/20 0.40
▸ KDM4E B2RXH2 7/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPK1 P28482 5/20 0.40
▸ L3MBTL1 Q9Y468 5/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39

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
SCHEMBL10003263 0.91 HSD17B10 (0.52) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL10003186 0.86 BRPF1 (0.44) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL10003517 0.82 SMO (0.41) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL10003403 0.82 ERCC1 (0.35) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL10003387 0.82 NPC1 (0.40) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL10003128 0.78 HTT (0.44) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL10003652 0.77 MAPT (0.44) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL10002854 0.75 P2RX3 (0.41) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL10003493 0.75 MEN1 (0.45) RAB9ANPC1MAPTALDH1A1MAPK1
SCHEMBL10003857 0.75 MCL1 (0.36) RAB9ANPC1MAPTKDM4EALDH1A1

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 RAB9A 1389/4885NPC1 1300/4885MAPT 4783/4885

“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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