SCHEMBL3451111

SCHEMBL3451111

CC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)nc(N3CCOCC3)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.63
ABL1 P00519 6/20 0.61
BCR P11274 5/20 0.61
BRAF P15056 2/20 0.56
RAF1 P04049 1/20 0.56
PIK3CD O00329 2/20 0.53
PIK3CB P42338 2/20 0.53
KDM4E B2RXH2 2/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PIK3CG P48736 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
SCHEMBL3451860 0.86 ABL1 (0.57) PIK3CAABL1BCRBRAFRAF1
SCHEMBL4358479 0.85 ABL1 (0.55) PIK3CAABL1BCRBRAFRAF1
SCHEMBL5183368 0.84 PIK3CA (0.58) PIK3CAABL1BCRPIK3CDPIK3CB
SCHEMBL5468715 0.84 RAF1 (0.54) PIK3CAABL1BCRBRAFRAF1
SCHEMBL4356957 0.78 ABL1 (0.70) ABL1BCRBRAFKDM4EMAPT
SCHEMBL1311391 0.78 SCN9A (0.57) PIK3CAABL1BCRBRAFRAF1
SCHEMBL1822046 0.77 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBMAPK1PIK3CG
SCHEMBL3451806 0.77 GALR2 (0.53) PIK3CAABL1BCRKDM4EMAPT
SCHEMBL4358482 0.77 ABL1 (0.58) ABL1BCRBRAFRAF1KDM4E
SCHEMBL10013582 0.77 ABL1 (1.00) ABL1BCRBRAFKDM4EMAPT

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
US-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US claimed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 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-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them UMPS, DPYD, TYMS PIK3CA 231/4885ABL1 4436/4885BCR 1492/4885

“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.