SCHEMBL2035155

SCHEMBL2035155

COCCOP(=O)(Cc1ccc(N)cc1)OCCOC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
FDPS P14324 1/20 0.37
CYP19A1 P11511 4/20 0.36
TDP1 Q9NUW8 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
GFER P55789 1/20 0.35
TSHR P16473 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
MAPK1 P28482 1/20 0.33
NPY5R Q15761 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA4 P22748 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL2032073 0.83 CYP3A4 (0.45) ALDH1A1CYP3A4TSHR
SCHEMBL479061 0.81 CCNT1 (0.46) FDPSTDP1ALDH1A1CYP3A4GFER
SCHEMBL914693 0.81 FDPS (0.41) FDPSCYP19A1TDP1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL3120206 0.80 CCNT1 (0.45) FDPSTDP1ALDH1A1CYP3A4GFER
SCHEMBL913793 0.79 FDPS (0.40) FDPSCYP19A1TDP1ALDH1A1CYP3A4
SCHEMBL2029517 0.78 ALDH1A1 (0.54) CA2CYP19A1TDP1ALDH1A1CYP3A4
Hypochlorous Acid SCHEMBL3120213 0.77 CCNT1 (0.44) FDPSTDP1CYP3A4TSHRCCNT1
SCHEMBL21881060 0.77 CCNT1 (0.41) FDPSCYP19A1TDP1ALDH1A1CYP3A4
SCHEMBL2033790 0.77 AKR1C3 (0.50) CA2ALDH1A1CYP3A4TSHRLOXL2
SCHEMBL2035458 0.74 FDPS (0.43) FDPSTDP1ALDH1A1CYP3A4GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 US disclosed
EP-2438056-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2012-04-11 EP disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 US 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 (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-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS CA2 3519/4885FDPS 1145/4885CYP19A1 3576/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS CA2 3519/4885FDPS 1145/4885CYP19A1 3576/4885

“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.