SCHEMBL2085863

SCHEMBL2085863

COC(=O)c1ccc(C(F)(F)F)c(N)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 8/20 0.55
NOTUM Q6P988 1/20 0.47
KDM4E B2RXH2 5/20 0.45
GAA P10253 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 3/20 0.45
MAPT P10636 3/20 0.45
GLA P06280 2/20 0.45
HPGD P15428 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
ABL1 P00519 1/20 0.44
CES2 O00748 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40

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
SCHEMBL22023077 0.87 CFTR (0.53) CFTRNOTUMKDM4EGAAALDH1A1
SCHEMBL29439722 0.85 CFTR (0.51) CFTRNOTUMKDM4EGAAALDH1A1
SCHEMBL3531721 0.85 CFTR (0.51) CFTRNOTUMKDM4EGAAALDH1A1
SCHEMBL28415472 0.83 ALDH1A1 (0.59) CFTRKDM4EGAAALDH1A1HSD17B10
SCHEMBL2084456 0.81 CFTR (0.47) CFTRNOTUMKDM4EGAAALDH1A1
SCHEMBL653785 0.78 GAA (0.56) CFTRNOTUMKDM4EGAAALDH1A1
SCHEMBL1458185 0.78 GAA (0.60) CFTRNOTUMKDM4EGAAALDH1A1
SCHEMBL22831692 0.77 CFTR (0.49) CFTRNOTUMKDM4EGAAALDH1A1
Hydrochloric Acid SCHEMBL2324114 0.77 GAA (0.58) CFTRNOTUMKDM4EGAAALDH1A1
SCHEMBL18225469 0.77 ABL1 (0.51) CFTRKDM4EGAAALDH1A1HSD17B10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163935-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-24 US disclosed
CN-101166729-B Fused heterocyclic compounds TAKAEDA CHEMICAL IND LTD 2011-08-31 CN disclosed
US-20090312383-A1 Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 US disclosed
EP-1874736-A4 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-08-20 EP disclosed
CN-101166729-A Fused heterocyclic compounds TAKEDA PHARMACEUTICAL (JP) 2008-04-23 CN disclosed
EP-1874736-A2 FUSED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-01-09 EP disclosed
WO-2006116412-A2 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-02 WO 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-20090312383-A1 Fused Heterocyclic Compounds NPY4R, CRHR1, CNR1 CFTR 2234/4885NOTUM 3244/4885KDM4E 1168/4885

“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.