SCHEMBL3600727

SCHEMBL3600727

CCOC(=O)C(O)(c1cn(Cc2ccccc2)c2ncccc12)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
APP P05067 3/20 0.42
SNCA P37840 3/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
BRD4 O60885 1/20 0.41
ATM Q13315 1/20 0.41
GLA P06280 1/20 0.40
LMNA P02545 1/20 0.40
PTPN1 P18031 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL3588146 0.85 PTPN1 (0.41) KMT2AGLALMNAPTPN1CRHBP
SCHEMBL3592319 0.84 GLA (0.52) MEN1KMT2AGLALMNAPTPN1
SCHEMBL3599317 0.82 PTPN1 (0.41) BRD4GLAPTPN1CRHBPCRHR2
SCHEMBL3595356 0.82 PTPN1 (0.39) BRD4GLAPTPN1CRHBPCRHR2
SCHEMBL3591313 0.81 GLA (0.41) KMT2AGLALMNAPTPN1CRHBP
SCHEMBL3602955 0.80 GLA (0.43) GLALMNAPTPN1CRHBPCRHR2
SCHEMBL3596257 0.78 GLA (0.39) GLALMNAPTPN1CRHBPCRHR2
SCHEMBL3600671 0.78 PTPN1 (0.47) KMT2AGLALMNAPTPN1CRHBP
SCHEMBL3600338 0.78 GLA (0.43) MEN1KMT2APTGDR2GLAPTPN1
SCHEMBL3602094 0.77 GLA (0.42) GLAPTPN1L3MBTL1CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 MEN1 3628/4885KMT2A 4721/4885APP 3344/4885

“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.