SCHEMBL9928615

SCHEMBL9928615

CC(=O)c1ccnc(C(F)(F)F)c1F

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.42
P2RX7 Q99572 13/20 0.42
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ASPH Q12797 1/20 0.41
KDM8 Q8N371 1/20 0.41
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL28311764 0.85 HTT (0.45) SLC6A9P2RX7CYP2C19KDM4EASPH
SCHEMBL29882303 0.84 ASPH (0.59) SLC6A9P2RX7CYP2C19KDM4EASPH
SCHEMBL1720696 0.84 ASPH (0.59) SLC6A9P2RX7CYP2C19KDM4EASPH
SCHEMBL1720768 0.82 L3MBTL1 (0.46) SLC6A9P2RX7CYP2C19KDM4EASPH
SCHEMBL17509160 0.82 P2RX7 (0.42) SLC6A9P2RX7CYP2C19KDM4EASPH
SCHEMBL31726092 0.81 SLC6A9 (0.45) SLC6A9P2RX7CYP2C19KDM4EASPH
SCHEMBL19583620 0.81 PSMD14 (0.44) SLC6A9P2RX7CYP2C19KDM4EALDH1A1
SCHEMBL9927076 0.81 SLC6A9 (0.40) SLC6A9P2RX7CYP2C19KDM4EASPH
SCHEMBL16857456 0.78 KDM4E (0.53) KDM4EHTTALDH1A1L3MBTL1
SCHEMBL18033657 0.76 HDAC6 (0.48) KDM4EHTTHSD17B10MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2015-03-26 US disclosed
US-8933085-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidine derivatives as JAK inhibitors INCYTE CORPORATION (US) 2015-01-13 US disclosed
US-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-06-14 US 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 (2 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-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 SLC6A9 4664/4885P2RX7 953/4885CYP2C19 1725/4885
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 SLC6A9 4630/4885P2RX7 939/4885CYP2C19 1644/4885

“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.