SCHEMBL19320381

SCHEMBL19320381

CN[C@H]1CCC[C@@H](Nc2nc(-c3c[nH]c4ncncc34)ncc2F)C1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.45
▸ SRC P12931 2/20 0.45
▸ FLT3 P36888 2/20 0.45
▸ GSK3A P49840 2/20 0.45
▸ GSK3B P49841 2/20 0.45
▸ PIK3CD O00329 1/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ PRKACA P17612 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ PIK3CG P48736 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44

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
SCHEMBL22883563 1.00 JAK2 (0.45) JAK2SRCFLT3GSK3AGSK3B
SCHEMBL22883638 0.89 PIK3CD (0.44) JAK2SRCFLT3GSK3AGSK3B
SCHEMBL19325116 0.88 KMT2A (0.49) JAK2SRCFLT3GSK3AGSK3B
SCHEMBL19325202 0.86 GSK3A (0.45) JAK2SRCFLT3GSK3AGSK3B
SCHEMBL19325094 0.86 GSK3A (0.45) JAK2SRCFLT3GSK3AGSK3B
SCHEMBL19325092 0.86 GSK3A (0.44) JAK2SRCFLT3GSK3AGSK3B
SCHEMBL22883652 0.86 GSK3A (0.44) JAK2SRCFLT3GSK3AGSK3B
SCHEMBL19325095 0.86 GSK3A (0.44) JAK2SRCFLT3GSK3AGSK3B
SCHEMBL19320375 0.85 GSK3A (0.45) JAK2SRCFLT3GSK3AGSK3B
SCHEMBL19325153 0.85 GSK3A (0.45) JAK2SRCFLT3GSK3AGSK3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 JAK2 1817/4885SRC 3105/4885FLT3 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.

Send feedback