SCHEMBL4579827

SCHEMBL4579827

NC1CCO[C@H]1c1nc(Cl)ncc1Br

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.31
BCR P11274 2/20 0.31

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
SCHEMBL16566107 0.73 ABL1 (0.36) ABL1BCR
SCHEMBL22279296 0.73 KMT2A (0.33) ABL1BCR
SCHEMBL28565709 0.70 KMT2A (0.38) ABL1BCR
SCHEMBL22279308 0.67 ABL1 (0.32) ABL1BCR
SCHEMBL7703222 0.66 ABL1 (0.34) ABL1BCR
Hydrochloric Acid SCHEMBL2596286 0.65 ABL1 (0.33) ABL1BCR
SCHEMBL25128539 0.64 ABL1 (0.33) ABL1BCR
SCHEMBL22279530 0.63
SCHEMBL30833739 0.62 ABL1 (0.40) ABL1BCR
SCHEMBL246368 0.61

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-7456191-B2 N-Aryl-sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents SCHERING AG (DE) 2008-11-25 US disclosed
EP-1861378-A1 N-ARYL-SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-05 EP disclosed
US-20060229325-A1 N-aryl-sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-12 US disclosed
WO-2006099974-A1 N-ARYL-SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-09-28 WO 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-20060229325-A1 N-aryl-sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents CDK2, FLT1, CDK4 ABL1 91/4885BCR 2125/4885

“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.