SCHEMBL10003671

SCHEMBL10003671

CCc1nc2c(cc1NC(=O)c1cscc1OC)c(OC(C)C)c(C(=O)NC1CCN(C(=O)CO)CC1)n2C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.35
▸ EHMT2 Q96KQ7 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTR4 Q13639 1/20 0.32
▸ GPR6 P46095 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 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
SCHEMBL10003649 0.86 SMO (0.38) SMOKMT2AMEN1MAPTALDH1A1
SCHEMBL10003576 0.84 SMO (0.46) SMOKMT2AMEN1LMNAHSD17B10
SCHEMBL10002893 0.84 BRPF1 (0.36) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL10003192 0.83 ALDH1A1 (0.39) SMOKDM4EKMT2AMEN1MAPT
SCHEMBL10003194 0.83 SMO (0.40) SMOKMT2AMEN1USP2SMN1; SMN2
SCHEMBL10002999 0.82 F10 (0.40) SMOKDM4EHPGDHSD17B10
SCHEMBL10003968 0.82 SMO (0.36) SMOKDM4EALDH1A1HPGDLMNA
SCHEMBL10003111 0.81 MAPT (0.37) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL10003104 0.76 SMO (0.43) SMOKMT2AMEN1LMNAHSD17B10
SCHEMBL10292508 0.76 BRPF1 (0.42) KMT2AMEN1MAPTSMN1; SMN2

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 9 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-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-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
US-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — 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 SMO 1/4885EHMT2 436/4885KDM4E 405/4885

“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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