SCHEMBL3873390

SCHEMBL3873390

NS(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCCc3c[nH]cn3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 9/20 0.58
CDK1 P06493 5/20 0.57
STK17A Q9UEE5 1/20 0.49
CHEK1 O14757 4/20 0.48
FLT3 P36888 2/20 0.48
CA2 P00918 2/20 0.45
PTK2B Q14289 1/20 0.45
CDK2 P24941 4/20 0.44
KDR P35968 2/20 0.44
KIT P10721 1/20 0.44
CCNT1 O60563 3/20 0.44
CDK7 P50613 3/20 0.44
CDK9 P50750 3/20 0.44
CCNB1 P14635 2/20 0.44
CDK4 P11802 2/20 0.44
CCND1 P24385 2/20 0.44
CCNT2 O60583 1/20 0.44
CCNB2 O95067 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
CCNH P51946 2/20 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
SCHEMBL3871776 0.86 CA2 (0.47) PTK2CDK1CA2CDK2KDR
SCHEMBL6542742 0.86 STK17A (0.50) PTK2CDK1STK17ACHEK1FLT3
SCHEMBL1919101 0.85 CDK1 (0.52) PTK2CDK1STK17ACHEK1FLT3
SCHEMBL3869125 0.85 CA2 (0.48) PTK2CDK1CA2CDK2KDR
SCHEMBL3283750 0.81 STK17A (0.51) PTK2CDK1STK17ACHEK1FLT3
SCHEMBL29989739 0.79 FGFR1 (0.52) STK17ACHEK1
SCHEMBL27087845 0.79 FGFR1 (0.52) STK17ACHEK1
SCHEMBL11919167 0.79 PTK2 (0.57) PTK2CDK1STK17ACHEK1FLT3
SCHEMBL6542446 0.79 MRGPRX1 (0.53) STK17ACA2CDK2KDRCDK4
SCHEMBL1491765 0.78 PTK2 (0.59) PTK2CDK1STK17ACHEK1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186118-A1 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-09-23 US claimed
US-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed
US-20040186118-A1 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-09-23 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-20040186118-A1 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents DCK, PDPK1, DTYMK PTK2 316/4885CDK1 237/4885STK17A 226/4885

“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.