SCHEMBL20927081

SCHEMBL20927081

CON(C)C(O)c1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.55
CDK4 P11802 1/20 0.55
SYK P43405 2/20 0.55
EGFR P00533 13/20 0.53
BTK Q06187 7/20 0.53
JAK3 P52333 4/20 0.53
ITK Q08881 6/20 0.52
AURKA O14965 2/20 0.47
BRD4 O60885 2/20 0.46
JAK2 O60674 2/20 0.44
HDAC1 Q13547 1/20 0.44
CDC7 O00311 1/20 0.44
PLK4 O00444 1/20 0.44
CHEK1 O14757 1/20 0.44
DCLK1 O15075 1/20 0.44
PDPK1 O15530 1/20 0.44
DAPK3 O43293 1/20 0.44
ROCK2 O75116 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44

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
SCHEMBL20216223 0.79 EGFR (0.61) CDK2CDK4SYKEGFRBTK
SCHEMBL12518620 0.77 EGFR (0.65) CDK2CDK4SYKEGFRBTK
SCHEMBL10187818 0.76 AURKA (0.71) CDK2CDK4SYKEGFRBTK
SCHEMBL12518614 0.75 EGFR (0.71) SYKEGFRBTKJAK3ITK
SCHEMBL13166126 0.75 SYK (0.67) CDK2SYKEGFRBTKJAK3
SCHEMBL12519548 0.75 SYK (0.67) CDK2SYKEGFRBTKJAK3
SCHEMBL12518611 0.73 EGFR (0.76) SYKEGFRBTKJAK3ITK
SCHEMBL12518406 0.73 JAK1 (0.69) SYKEGFRBTKJAK3ITK
SCHEMBL15391256 0.73 MAPK8 (0.60) CDK2CDK4SYKEGFRBTK
SCHEMBL12749854 0.72 SYK (0.63) CDK2CDK4SYKEGFRBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 US disclosed
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-04-25 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 (2 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-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors ABL1, DCK, ERBB2 CDK2 32/4885CDK4 50/4885SYK 494/4885
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 CDK2 1007/4885CDK4 1995/4885SYK 2370/4885

“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.