SCHEMBL10002806

SCHEMBL10002806

CCOC(=O)c1c(OCC(F)(F)F)c2cc(-c3ccc4ccccc4c3)c(CC)nc2n1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCKAR P32238 1/20 0.37
▸ JAK2 O60674 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ HSD11B1 P28845 1/20 0.36
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SLC6A2 P23975 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
SCHEMBL10003156 0.91 KDM4E (0.41) KDM4EMAPTRAB9ASMN1; SMN2TP53
SCHEMBL10003113 0.90 CCKAR (0.37) CCKARHSD11B1CCNCCDK8NPC1
SCHEMBL10003298 0.89 ALDH1A1 (0.37) KDM4EMAPTGAAHPGDALDH1A1
SCHEMBL10003955 0.89 ALDH1A1 (0.40) CCKARKDM4EMAPTSMN1; SMN2GAA
SCHEMBL12003592 0.89 POLB (0.42) KDM4EMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL10003637 0.88 MAPT (0.40) KDM4EMAPTTP53GAAALDH1A1
SCHEMBL10003348 0.88 ALDH1A1 (0.44) KDM4EMAPTRAB9ASMN1; SMN2TP53
SCHEMBL10003738 0.88 MAPT (0.44) JAK2JAK3KDM4EMAPTRAB9A
SCHEMBL10004342 0.88 CSNK1D (0.43) JAK2JAK3KDM4EMAPTSMN1; SMN2
SCHEMBL10004077 0.88 GABRA2 (0.41) KDM4EMAPTRAB9ASMN1; SMN2TP53

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 CCKAR 862/4885JAK2 34/4885JAK3 333/4885

“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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