SCHEMBL10003318

SCHEMBL10003318

CCc1nc2c(cc1NC(=O)c1ccccc1F)c(OCC(F)(F)F)c(C(=O)NC1CCN(C(=O)CO)CC1)n2C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.52
▸ CCR8 P51685 2/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ NPC1 O15118 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ MRGPRX1 Q96LB2 1/20 0.36
▸ NTRK1 P04629 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
SCHEMBL10003592 0.91 SMO (0.59) SMOCCR8EPHX2KMT2AMEN1
SCHEMBL10003279 0.90 SMO (0.53) SMOCCR8EPHX2KMT2AMEN1
SCHEMBL10003363 0.89 SMO (0.52) SMOCCR8EPHX2KMT2AMEN1
SCHEMBL10003386 0.88 SMO (0.53) SMOCCR8EPHX2KMT2AMEN1
SCHEMBL10003187 0.88 SMO (0.54) SMOEPHX2
SCHEMBL10003249 0.88 SMO (0.54) SMOEPHX2KMT2AMEN1
SCHEMBL10002860 0.87 SMO (0.56) SMOEPHX2
SCHEMBL10002926 0.87 SMO (0.51) SMOEPHX2KMT2AMEN1
SCHEMBL10003294 0.87 SMO (0.50) SMOEPHX2KMT2AMEN1IRAK4
SCHEMBL10003998 0.87 SMO (0.50) SMONPC1KMT2A

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 11 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-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
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 1/4885CCR8 3526/4885EPHX2 261/4885

“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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