SCHEMBL2637408

SCHEMBL2637408

COc1cc(CP(C)(=O)O)ccc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
TSHR P16473 3/20 0.46
CYP3A4 P08684 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.42
GAA P10253 2/20 0.42
MET P08581 4/20 0.40
CYP19A1 P11511 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
MAPK1 P28482 1/20 0.39
APP P05067 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
CA2 P00918 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL2636910 0.89 ALDH1A1 (0.61) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL9281995 0.83 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL9275716 0.82 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL9281248 0.81 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL2036023 0.80 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL2034890 0.80 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL2029808 0.78 ALDH1A1 (0.56) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL2033064 0.78 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL2029517 0.77 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL2036026 0.76 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4HSD17B10TDP1

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-2438056-B1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS LLC (US) 2017-12-20 EP disclosed
US-9096624-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2015-08-04 US disclosed
US-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2013-09-05 US disclosed
EP-2438056-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2012-04-11 EP disclosed
WO-2010141406-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2010-12-09 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-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS ALDH1A1 1117/4885TSHR 4171/4885CYP3A4 3332/4885

“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.