SCHEMBL10003609

SCHEMBL10003609

CCc1cc2c(nc1NC(=O)c1ccc(F)cc1)c(OC(C)C)c(C(=O)NC1CCN(C(=O)CO)CC1)n2C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.43
▸ USP2 O75604 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ KDM5A P29375 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
SCHEMBL10003899 0.93 SMO (0.48) SMOKMT2AMEN1EPHX2POLB
SCHEMBL10003227 0.87 SMO (0.43) SMOSMN1; SMN2LMNAHTTEPHX2
SCHEMBL10003705 0.87 SMO (0.39) SMOUSP2TSHRSMN1; SMN2KMT2A
SCHEMBL10003517 0.86 SMO (0.41) SMOSMN1; SMN2LMNAHTR7POLB
SCHEMBL10003901 0.85 SMO (0.44) SMOUSP2TSHRSMN1; SMN2KMT2A
SCHEMBL10002791 0.84 SMO (0.52) SMOSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL10003554 0.82 SMO (0.40) SMOUSP2TSHRSMN1; SMN2
SCHEMBL10004367 0.82 SMO (0.62) SMOSMN1; SMN2KMT2AHTTMEN1
SCHEMBL10003387 0.82 NPC1 (0.40) SMN1; SMN2KMT2ALMNAHTTMEN1
SCHEMBL10004046 0.82 SMO (0.45) SMOKMT2AMEN1EPHX2KDM5A

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 1/4885USP2 3931/4885TSHR 2374/4885

“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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