SCHEMBL1806540

SCHEMBL1806540

Cc1cc(-c2cnco2)c(C)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 7/20 0.46
IMPDH1 P20839 2/20 0.46
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
MAP4K4 O95819 1/20 0.41
AAK1 Q2M2I8 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTK2 Q05397 1/20 0.36
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
UHRF1 Q96T88 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NOTUM Q6P988 1/20 0.34

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
SCHEMBL16202087 0.85 LMNA (0.47) IMPDH2IMPDH1LMNAPKMMAP4K4
SCHEMBL31465506 0.85 IMPDH2 (0.43) IMPDH2IMPDH1LMNAPKMMAP4K4
SCHEMBL6168364 0.77 IMPDH2 (0.65) IMPDH2IMPDH1LMNAPKMMAP4K4
SCHEMBL16371297 0.77 IMPDH2 (0.45) IMPDH2IMPDH1LMNAPKMMAP4K4
SCHEMBL12907859 0.77 IMPDH2 (0.60) IMPDH2IMPDH1LMNAPKMMAP4K4
SCHEMBL12021891 0.77 CFTR (0.44) IMPDH2IMPDH1AAK1GAAALDH1A1
SCHEMBL30292019 0.74 LMNA (0.58) IMPDH2IMPDH1LMNAPKMMAP4K4
SCHEMBL6607846 0.74 GAA (0.53) IMPDH2IMPDH1LMNAPKMAAK1
SCHEMBL22170248 0.74 LMNA (0.58) IMPDH2IMPDH1LMNAPKMMAP4K4
SCHEMBL3466581 0.74 LMNA (0.58) IMPDH2IMPDH1LMNAPKMMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445505-B2 Pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-05-21 US disclosed
US-8445505-B2 Pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-05-21 US disclosed
US-8445505-B2 Pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-05-21 US disclosed
EP-2331526-A2 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-06-15 EP disclosed
US-20110112096-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ITM LLC (BM) 2011-05-12 US disclosed
US-20110112096-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ITM LLC (BM) 2011-05-12 US disclosed
US-20110112096-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ITM LLC (BM) 2011-05-12 US disclosed
WO-2009158431-A2 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-12-30 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-20110112096-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IGF1R, TYMP, PDXK IMPDH2 68/4885IMPDH1 38/4885LMNA 3371/4885

“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.