SCHEMBL9893726

SCHEMBL9893726

OC1CN(Cc2cc(OC3CCNCC3)nc(C(F)(F)F)n2)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.33
TIPARP Q7Z3E1 2/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
SLC6A4 P31645 2/20 0.32
AXL P30530 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
TDO2 P48775 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
CACNA1H O95180 1/20 0.31
ROCK1 Q13464 1/20 0.30
PDCD1LG2 Q9BQ51 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
CCNT1 O60563 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCND3 P30281 1/20 0.30
CDK7 P50613 1/20 0.30
CDK9 P50750 1/20 0.30

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
SCHEMBL9894201 0.83 LOXL2 (0.42) LOXL2
SCHEMBL6122504 0.82 PIM1 (0.39) PIM1TIPARPPIM3PIM2SLC6A4
SCHEMBL8546451 0.81 LOXL2 (0.45) PIM1TIPARPAXLTYRO3MERTK
SCHEMBL6122505 0.79 GPR119 (0.44) CACNA1H
SCHEMBL27315685 0.77 AXL (0.38) PIM1TIPARPAXLTYRO3MERTK
SCHEMBL6121328 0.77 PIM1 (0.35) PIM1TIPARPPIM3PIM2SLC6A4
SCHEMBL9894318 0.75 PIM1 (0.34) PIM1TIPARPPIM3PIM2SLC6A4
SCHEMBL21128589 0.70 LOXL2 (0.43) PIM1TIPARPPIM3PIM2AXL
Trifluoroacetic Acid SCHEMBL6121912 0.69 P2RX7 (0.39) PIM1TIPARPPIM3PIM2TDO2
SCHEMBL14696070 0.67 SCN9A (0.37) LOXL2

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 5 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-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 (4 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-10640506-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidines derivatives as JAK inhibitors JAK2, JAK1, JAK3 PIM1 700/4885TIPARP 1482/4885PIM3 950/4885
US-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 PIM1 629/4885TIPARP 1311/4885PIM3 877/4885
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 PIM1 700/4885TIPARP 1482/4885PIM3 950/4885
US-20190135813-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 PIM1 700/4885TIPARP 1482/4885PIM3 950/4885

“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.