SCHEMBL9894318

SCHEMBL9894318

CCNCc1cc(OC2CCNCC2)nc(C(F)(F)F)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.34
PIM3 Q86V86 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
SLC6A4 P31645 2/20 0.33
TIPARP Q7Z3E1 2/20 0.32
CHEK1 O14757 1/20 0.32
SYK P43405 3/20 0.32
CACNA1H O95180 1/20 0.32
DDR1 Q08345 1/20 0.32
ROCK1 Q13464 1/20 0.31
P2RX7 Q99572 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
SOS1 Q07889 1/20 0.31
IKBKB O14920 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
SCHEMBL6122504 0.82 PIM1 (0.39) PIM1PIM3PIM2SLC6A4TIPARP
SCHEMBL6121328 0.81 PIM1 (0.35) PIM1PIM3PIM2SLC6A4TIPARP
SCHEMBL6121322 0.81 LOXL2 (0.42)
SCHEMBL8544620 0.79 LOXL2 (0.41) PIM1PIM3PIM2SLC6A4TIPARP
SCHEMBL9893890 0.78 GPR119 (0.44) CACNA1HP2RX3P2RX2
SCHEMBL9893726 0.75 PIM1 (0.33) PIM1PIM3PIM2SLC6A4TIPARP
Trifluoroacetic Acid SCHEMBL6121912 0.71 P2RX7 (0.39) PIM1PIM3PIM2TIPARPP2RX7
SCHEMBL8545951 0.69 LOXL2 (0.42) PIM1PIM3PIM2SLC6A4TIPARP
SCHEMBL14707728 0.68 CACNB4 (0.38) CACNA1H
SCHEMBL31435068 0.68 MALT1 (0.47) PIM1PIM3PIM2SLC6A4TIPARP

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 700/4885PIM3 950/4885PIM2 829/4885
US-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 PIM1 629/4885PIM3 877/4885PIM2 741/4885
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 PIM1 700/4885PIM3 950/4885PIM2 829/4885
US-20190135813-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 PIM1 700/4885PIM3 950/4885PIM2 829/4885

“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.