SCHEMBL4062164

SCHEMBL4062164

NS(=O)(=O)c1ccc(Nc2ncc(Br)c(NCCN3CCOCC3)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.63
TBK1 Q9UHD2 3/20 0.63
NUAK1 O60285 2/20 0.63
STK16 O75716 2/20 0.63
CSNK2A2 P19784 2/20 0.63
TYK2 P29597 2/20 0.63
AAK1 Q2M2I8 2/20 0.63
BMP2K Q9NSY1 2/20 0.63
CSF1R P07333 1/20 0.63
ULK3 Q6PHR2 1/20 0.63
CA2 P00918 6/20 0.59
CA1 P00915 3/20 0.54
CA9 Q16790 2/20 0.54
CDK1 P06493 2/20 0.52
CDK4 P11802 2/20 0.52
CDK2 P24941 2/20 0.52
KDR P35968 2/20 0.52
CDK7 P50613 2/20 0.52
CDK9 P50750 2/20 0.52
CCNT1 O60563 1/20 0.52

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
SCHEMBL3873384 0.91 CA2 (0.62) NTRK1TBK1NUAK1STK16CSNK2A2
SCHEMBL13648535 0.86 TNK2 (0.57) IGF1RTNK2
SCHEMBL13648522 0.83 IGF1R (0.53) IGF1RTNK2
SCHEMBL4058944 0.83 CA2 (0.57) NTRK1TBK1NUAK1STK16CSNK2A2
SCHEMBL4061169 0.80 CA2 (0.70) NTRK1TBK1NUAK1STK16CSNK2A2
SCHEMBL4061436 0.80 TBK1 (0.56) NTRK1TBK1NUAK1STK16CSNK2A2
SCHEMBL3873057 0.79 CA2 (0.60) NTRK1TBK1NUAK1STK16CSNK2A2
SCHEMBL3873050 0.79 STK17A (0.73) CA2CA1CA9CDK1CDK4
SCHEMBL3447547 0.79 EGFR (0.58) IGF1R
Hydrochloric Acid SCHEMBL3869305 0.78 STK17A (0.71) CA2CA1CA9CDK1CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392662-B1 CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AG (DE) 2009-01-07 EP claimed
US-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 US disclosed
US-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 US disclosed
US-7488844-B2 Therapeutic agents ASTRAZENECA AB (SE) 2009-02-10 US disclosed
EP-1392662-B1 CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AG (DE) 2009-01-07 EP disclosed
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 US disclosed
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 US disclosed
US-7291624-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-11-06 US disclosed
US-7291624-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-11-06 US disclosed
US-7235561-B2 Compound and a composition including such a compound SCHERING AG (DE) 2007-06-26 US disclosed
US-7235561-B2 Compound and a composition including such a compound SCHERING AG (DE) 2007-06-26 US disclosed
US-20050282822-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-12-22 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-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents CDK2, CDK1, CDK6 NTRK1 4205/4885TBK1 1519/4885NUAK1 345/4885
US-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP NTRK1 4858/4885TBK1 3369/4885NUAK1 1487/4885

“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.