SCHEMBL18816705

SCHEMBL18816705

CN(C(=O)c1ccccc1OC(F)(F)F)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
HCRTR1 O43613 6/20 0.47
HCRTR2 O43614 6/20 0.47
NR1H3 Q13133 2/20 0.47
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
KCNK3 O14649 3/20 0.45
KCNK9 Q9NPC2 3/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NR1H2 P55055 1/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5233877 0.90 RXRA (0.50) POLBHCRTR1HCRTR2NR1H3CYP11B1
SCHEMBL30436883 0.84 HCRTR1 (0.51) HCRTR1HCRTR2CYP11B1CYP11B2KCNK3
SCHEMBL25218080 0.81 HCRTR1 (0.49) HCRTR1HCRTR2CYP11B1CYP11B2KCNK3
SCHEMBL529916 0.81 POLB (0.60) POLBRXFP1KDM4EKMT2A
SCHEMBL4302001 0.80 KMT2A (0.49) POLBNR1H3RXFP1NR1H2KDM4E
SCHEMBL14893567 0.80 KCNK3 (0.49) HCRTR1HCRTR2CYP11B1CYP11B2KCNK3
SCHEMBL9001638 0.78 POLB (0.75) POLBNR1H3KDM4EKMT2A
SCHEMBL3550257 0.77 HCRTR1 (0.63) HCRTR1HCRTR2CYP11B1CYP11B2KCNK3
SCHEMBL530230 0.77 TSHR (0.63) POLBHCRTR1HCRTR2KDM4EKMT2A
SCHEMBL29374906 0.77 KDM4E (0.53) CYP11B1CYP11B2KCNK3KCNK9RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975897-B2 Pyrazolopyrimidine derivatives useful as inhibitors of Bruton's tyrosine kinase LOXO ONCOLOGY, INC. (US) 2018-05-22 US disclosed
US-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase LOXO ONCOLOGY, INC. 2017-05-11 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 (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-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LCK POLB 2100/4885HCRTR1 4580/4885HCRTR2 4559/4885

“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.