SCHEMBL19325116

SCHEMBL19325116

Fc1cnc(-c2c[nH]c3ncncc23)nc1NC1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.49
▸ GSK3A P49840 2/20 0.48
▸ GSK3B P49841 2/20 0.48
▸ PIK3CD O00329 1/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ ROCK2 O75116 1/20 0.48
▸ SRC P12931 1/20 0.48
▸ PRKACA P17612 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ FLT3 P36888 1/20 0.48
▸ PIK3CG P48736 1/20 0.48
▸ PLK1 P53350 1/20 0.48
▸ ROCK1 Q13464 1/20 0.48

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
SCHEMBL22883638 0.89 PIK3CD (0.44) GSK3AGSK3BPIK3CDJAK2ROCK2
SCHEMBL22883563 0.88 JAK2 (0.45) GSK3AGSK3BPIK3CDJAK2ROCK2
SCHEMBL19320381 0.88 JAK2 (0.45) GSK3AGSK3BPIK3CDJAK2ROCK2
SCHEMBL19325087 0.85 GSK3A (0.46) GSK3AGSK3BPIK3CDJAK2ROCK2
SCHEMBL18052124 0.85 GSK3A (0.53) GSK3AGSK3BPIK3CDJAK2ROCK2
SCHEMBL27851301 0.84 GSK3A (0.64) GSK3AGSK3BPIK3CDJAK2ROCK2
SCHEMBL10304368 0.84 GSK3A (0.64) GSK3AGSK3BPIK3CDJAK2ROCK2
SCHEMBL10304636 0.83 CDC7 (0.59) GSK3AGSK3BJAK2ROCK2PRKACA
SCHEMBL19320375 0.83 GSK3A (0.45) GSK3AGSK3BJAK2SRCFLT3
SCHEMBL19325153 0.83 GSK3A (0.45) GSK3AGSK3BJAK2SRCFLT3

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 3 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-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 KMT2A 2122/4885GSK3A 2643/4885GSK3B 2184/4885

“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.

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