SCHEMBL19320331

SCHEMBL19320331

Cc1cc(F)c(N[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)nc1-c1c[nH]c2ncncc12

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.56
GSK3B P49841 2/20 0.56
JAK2 O60674 1/20 0.49
SRC P12931 1/20 0.49
FLT3 P36888 1/20 0.49

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
SCHEMBL19320383 0.92 GSK3A (0.47) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL19320347 0.91 GSK3A (0.47) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL9967139 0.88 GSK3A (0.73) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL9967140 0.88 GSK3A (0.73) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL19325091 0.88 GSK3A (0.55) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL19320372 0.87 GSK3A (0.54) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL23015736 0.83 GSK3A (0.76) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL19320378 0.83 GSK3A (0.76) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL19944141 0.83 GSK3A (0.47) GSK3AGSK3B
SCHEMBL21117479 0.83 GSK3A (0.47) GSK3AGSK3B

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 GSK3A 2643/4885GSK3B 2184/4885JAK2 1817/4885

“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.