SCHEMBL4526080

SCHEMBL4526080

COc1ccc(-c2cnc3c(-c4nc[nH]n4)nc(NC(C)=O)nc3c2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAK O14976 8/20 0.48
PIK3CG P48736 4/20 0.46
PIK3CA P42336 2/20 0.45
AURKB Q96GD4 4/20 0.44
PIK3CD O00329 1/20 0.44
DYRK1A Q13627 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
ADORA3 P0DMS8 2/20 0.43
YES1 P07947 2/20 0.43
MAPK1 P28482 2/20 0.43
HIPK1 Q86Z02 1/20 0.43
KIT P10721 1/20 0.42

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
SCHEMBL3336353 0.85 ACHE (0.47) PIK3CGPIK3CAPIK3CDDYRK1ADYRK1B
SCHEMBL3925325 0.85 ADORA3 (0.48) GAKPIK3CGPIK3CAPIK3CDADORA3
SCHEMBL4455771 0.82 ADORA3 (0.47) PIK3CGPIK3CAPIK3CDDYRK1ADYRK1B
SCHEMBL4108181 0.79 ADORA3 (0.41) PIK3CGPIK3CAPIK3CDADORA3MAPK1
SCHEMBL3924817 0.77 KMO (0.42) PIK3CGPIK3CAPIK3CDADORA3MAPK1
SCHEMBL4062926 0.76 AAK1 (0.46) AURKBDYRK1ADYRK1BYES1MAPK1
SCHEMBL4526335 0.74 GAK (0.48) GAKPIK3CGPIK3CAAURKBDYRK1A
SCHEMBL4452166 0.73 LIG1 (0.44) PIK3CGPIK3CAPIK3CDDYRK1ADYRK1B
SCHEMBL3337363 0.71 ADORA3 (0.40) PIK3CGPIK3CAPIK3CDADORA3MAPK1
SCHEMBL4448818 0.71 ALDH1A1 (0.47) PIK3CGPIK3CAPIK3CDDYRK1ADYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US claimed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US claimed
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO GAK 1134/4885PIK3CG 547/4885PIK3CA 609/4885

“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.