SCHEMBL3450481

SCHEMBL3450481

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.55
BCR P11274 4/20 0.55
JAK2 O60674 4/20 0.51
JAK3 P52333 4/20 0.51
PTK2 Q05397 3/20 0.51
GALR2 O43603 2/20 0.47
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
RAF1 P04049 4/20 0.46
BRAF P15056 4/20 0.46
PIK3CA P42336 1/20 0.46
SMG1 Q96Q15 2/20 0.44
CDK1 P06493 1/20 0.44
CDK2 P24941 1/20 0.44
MTOR P42345 1/20 0.44
PIK3CG P48736 1/20 0.43
PIK3R5 Q8WYR1 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43

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
SCHEMBL3996650 0.91 ABL1 (0.56) ABL1BCRJAK2JAK3PTK2
SCHEMBL3450413 0.86 ABL1 (0.56) ABL1BCRJAK2GALR2CTSS
SCHEMBL3995077 0.85 ABL1 (0.60) ABL1BCRJAK2JAK3PTK2
SCHEMBL13621815 0.82 ABL1 (0.58) ABL1BCRJAK2JAK3PTK2
SCHEMBL3452936 0.81 ABL1 (0.63) ABL1BCRBRAF
SCHEMBL3996127 0.79 ABL1 (0.70) ABL1BCRBRAF
SCHEMBL4358479 0.76 ABL1 (0.55) ABL1BCRCTSSCTSKRAF1
SCHEMBL4119573 0.76 ABL1 (0.61) ABL1BCRJAK2JAK3PTK2
SCHEMBL13621927 0.75 ABL1 (0.61) ABL1BCRJAK2JAK3PTK2
SCHEMBL3450806 0.75 JAK2 (0.61) JAK2JAK3PTK2RAF1BRAF

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-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US claimed
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-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 ABL1 4436/4885BCR 1492/4885JAK2 1205/4885

“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.