SCHEMBL9928607

SCHEMBL9928607

CC(=O)c1cc(CN(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
LSS P48449 1/20 0.47
TACR1 P25103 8/20 0.45
CES2 O00748 1/20 0.43
MAOB P27338 4/20 0.42
SERPINE1 P05121 2/20 0.41
ALDH1A1 P00352 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
SCHEMBL346774 0.87 MRGPRX4 (0.48) RXRARXRBRXRGLSSTACR1
Hydrochloric Acid SCHEMBL345549 0.86 MRGPRX4 (0.47) RXRARXRBRXRGLSSTACR1
SCHEMBL6121602 0.86 MRGPRX4 (0.47) RXRARXRBRXRGLSSTACR1
Lithium Ion SCHEMBL6121595 0.84 LSS (0.45) LSSTACR1CES2SERPINE1ALDH1A1
SCHEMBL9927096 0.83 TACR1 (0.45) LSSTACR1CES2SERPINE1
SCHEMBL21697648 0.81 RXRA (0.52) RXRARXRBRXRGCES2MAOB
SCHEMBL13099993 0.81 RXRA (0.52) RXRARXRBRXRGCES2MAOB
SCHEMBL13451382 0.80 TACR1 (0.49) LSSTACR1SERPINE1ALDH1A1
SCHEMBL96116 0.78 CES2 (0.67) RXRARXRBRXRGTACR1CES2
SCHEMBL16389289 0.78 ALDH1A1 (0.41) CES2MAOBALDH1A1

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 RXRA 2034/4885RXRB 1654/4885RXRG 2497/4885
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 RXRA 2382/4885RXRB 1988/4885RXRG 2905/4885

“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.