SCHEMBL9927090

SCHEMBL9927090

CC(C)C(=O)c1ncc(C(F)(F)F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 2/20 0.43
AGBL2 Q5U5Z8 1/20 0.42
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.40
CFTR P13569 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 1/20 0.38
PDE2A O00408 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL9928605 0.81 MAPT (0.47) SMN1; SMN2ALDH1A1KMT2AKDM4EAGBL2
SCHEMBL30134211 0.81 MAPT (0.47) SMN1; SMN2ALDH1A1KMT2AKDM4EAGBL2
SCHEMBL12780298 0.80 DPP4 (0.40) AGBL2
SCHEMBL1499037 0.80 GLA (0.49) SMN1; SMN2ALDH1A1KMT2AKDM4EAGBL2
SCHEMBL6033804 0.78 KMT2A (0.53) SMN1; SMN2ALDH1A1KMT2AKDM4EAGBL2
SCHEMBL22208505 0.77 MAPK1 (0.47) SMN1; SMN2ALDH1A1KMT2AKDM4EAGBL2
SCHEMBL18412886 0.77 PKM (0.52) SMN1; SMN2ALDH1A1KMT2AKDM4EAGBL2
SCHEMBL12780507 0.77 BACE1 (0.36) SMN1; SMN2LMNA
SCHEMBL22060645 0.75 HCAR2 (0.41) ALDH1A1KMT2AKDM4EMAPK1LMNA
Formic Acid SCHEMBL2591954 0.73 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1KMT2AKDM4EGLA

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-10640506-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidines derivatives as JAK inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-05-05 US disclosed
US-20190135813-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2019-05-09 US disclosed
US-9249145-B2 Heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-02-02 US disclosed
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
US-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2011-03-10 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 (5 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-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 SMN1; SMN2 4287/4885ALDH1A1 3201/4885KMT2A 1472/4885
US-10640506-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidines derivatives as JAK inhibitors JAK2, JAK1, JAK3 SMN1; SMN2 4536/4885ALDH1A1 3935/4885KMT2A 1287/4885
US-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 SMN1; SMN2 4468/4885ALDH1A1 3852/4885KMT2A 1210/4885
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 SMN1; SMN2 4536/4885ALDH1A1 3935/4885KMT2A 1287/4885
US-20190135813-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 SMN1; SMN2 4536/4885ALDH1A1 3935/4885KMT2A 1287/4885

“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.