SCHEMBL10002983

SCHEMBL10002983

CCc1nc2c(cc1-c1ccc(OC)nc1)c(OCC(F)(F)F)c(C(=O)NC1CCN(C(=O)CO)CC1)n2C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.49
▸ PIK3CD O00329 4/20 0.40
▸ PIK3R1 P27986 1/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ TBK1 Q9UHD2 1/20 0.38
▸ HPGDS O60760 2/20 0.38
▸ PIK3CA P42336 4/20 0.38
▸ GPR183 P32249 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
SCHEMBL10003168 0.92 SMO (0.51) SMOTBK1HPGDSPIK3CA
SCHEMBL10003509 0.92 SMO (0.50) SMOPIK3CDPIK3R1JAK2JAK1
SCHEMBL10003287 0.91 SMO (0.52) SMOJAK2JAK1JAK3
SCHEMBL10003710 0.91 SMO (0.52) SMO
SCHEMBL10004388 0.91 SMO (0.52) SMO
SCHEMBL10003233 0.91 SMO (0.52) SMOPIK3CDPIK3R1JAK2JAK1
SCHEMBL10293260 0.91 SMO (0.52) SMOJAK2JAK1JAK3HPGDS
SCHEMBL10003802 0.90 SMO (0.51) SMO
SCHEMBL10004015 0.90 SMO (0.57) SMOJAK2JAK1JAK3HPGDS
SCHEMBL10003362 0.89 SMO (0.52) SMOJAK2JAK1JAK3

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 1/4885PIK3CD 1795/4885PIK3R1 1183/4885

“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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