SCHEMBL19320378

SCHEMBL19320378

O=C(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncncc23)ncc1F

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 5/20 0.76
GSK3B P49841 5/20 0.76
FLT3 P36888 5/20 0.64
JAK2 O60674 4/20 0.64
SRC P12931 4/20 0.64
ROCK2 O75116 3/20 0.56
KDR P35968 3/20 0.56
PIK3CG P48736 3/20 0.56
ROCK1 Q13464 3/20 0.56
PIK3CD O00329 2/20 0.56
PRKACA P17612 2/20 0.56
PLK1 P53350 2/20 0.56
CDK2 P24941 1/20 0.54
IRAK4 Q9NWZ3 1/20 0.54

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
SCHEMBL23015736 1.00 GSK3A (0.76) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL19320337 0.92 GSK3A (0.65) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL19320385 0.91 GSK3A (0.64) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL19320382 0.87 GSK3A (0.59) GSK3AGSK3BFLT3JAK2SRC
Pimodivir SCHEMBL16728442 0.86 GSK3A (1.00) GSK3AGSK3BFLT3JAK2SRC
Pimodivir SCHEMBL2128140 0.86 GSK3A (1.00) GSK3AGSK3BFLT3JAK2SRC
Pimodivir SCHEMBL10304158 0.86 GSK3A (1.00) GSK3AGSK3BFLT3JAK2SRC
Pimodivir SCHEMBL15723339 0.86 GSK3A (1.00) GSK3AGSK3BFLT3JAK2SRC
Pimodivir SCHEMBL9941950 0.86 GSK3A (1.00) GSK3AGSK3BFLT3JAK2SRC
Pimodivir SCHEMBL16728380 0.86 GSK3A (1.00) GSK3AGSK3BFLT3JAK2SRC

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
EP-3191489-B1 PYRROLOPYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-01-06 EP disclosed
US-9932346-B2 Pyrrolopyrimidines for use in influenza virus infection JANSSEN SCIENCES IRELAND UC (IE) 2018-04-03 US disclosed
US-9932346-B2 Pyrrolopyrimidines for use in influenza virus infection JANSSEN SCIENCES IRELAND UC (IE) 2018-04-03 US disclosed
US-20170253600-A1 PYRROLOPYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-09-07 US disclosed
US-20170253600-A1 PYRROLOPYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-09-07 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-20170253600-A1 PYRROLOPYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION IMPDH1, IMPDH2, TYMP GSK3A 2643/4885GSK3B 2184/4885FLT3 102/4885

“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.