SCHEMBL4024903

SCHEMBL4024903

CC(=O)Nc1ccc(Nc2ncc(Br)c(Nc3ccccc3N3CCOCC3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.60
STAT6 P42226 1/20 0.55
JAK2 O60674 4/20 0.54
JAK3 P52333 1/20 0.54
EGFR P00533 1/20 0.53
PKMYT1 Q99640 2/20 0.52
INSR P06213 1/20 0.52
PTK2 Q05397 1/20 0.52
PTK2B Q14289 1/20 0.52
MAPK8 P45983 2/20 0.51
MAPK9 P45984 2/20 0.51
MAPK10 P53779 2/20 0.51
SLC2A1 P11166 1/20 0.51
FLT3 P36888 1/20 0.51
BTK Q06187 1/20 0.51
CCNK O75909 1/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CCND3 P30281 1/20 0.51
CDK9 P50750 1/20 0.51

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
Hydrochloric Acid SCHEMBL3807386 0.99 IGF1R (0.59) IGF1RSTAT6JAK2JAK3EGFR
SCHEMBL13809950 0.87 JAK2 (0.52) IGF1RSTAT6JAK2JAK3EGFR
Hydrochloric Acid SCHEMBL6179747 0.84 IGF1R (0.56) IGF1RSTAT6EGFRPTK2MAPK8
SCHEMBL4025643 0.79 MAPK8 (0.68) IGF1RJAK2JAK3PTK2BMAPK8
SCHEMBL13810320 0.79 ULK1 (0.60) IGF1REGFRPKMYT1INSRPTK2
Hydrochloric Acid SCHEMBL3812109 0.78 MAPK8 (0.67) IGF1RJAK2JAK3PTK2BMAPK8
Hydrochloric Acid SCHEMBL3811803 0.78 ULK1 (0.59) IGF1REGFRPKMYT1INSRPTK2
SCHEMBL26506636 0.77 MAPK8 (0.56) IGF1RSTAT6JAK2JAK3PTK2B
SCHEMBL31174585 0.77 PKMYT1 (0.69) IGF1RSTAT6JAK2EGFRPKMYT1
SCHEMBL3811820 0.76 IGF1R (0.50) IGF1REGFRCCNKCCNA2CDK2

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
EP-1597251-B1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-06-10 EP claimed
US-7514446-B2 Pyrimidine compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-04-07 US disclosed
US-7514446-B2 Pyrimidine compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-04-07 US disclosed
US-20070010668-A1 Pyrimidine compounds NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-01-11 US disclosed
US-20070010668-A1 Pyrimidine compounds NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-01-11 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-20070010668-A1 Pyrimidine compounds TYMS, TYMP, DPYD IGF1R 4340/4885STAT6 2395/4885JAK2 634/4885

“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.