SCHEMBL2035903

SCHEMBL2035903

Cc1ccc(S(=O)(=O)OC2c3c([N+](=O)[O-])ccc(Br)c3C=CN2C)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.35
PAX8 Q06710 1/20 0.34
CYP1A2 P05177 1/20 0.33
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 4/20 0.32
HTT P42858 2/20 0.32
VDR P11473 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
HSD11B1 P28845 1/20 0.31
MAPT P10636 3/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL11733733 0.82 PAX8 (0.39) CYP2D6PAX8CYP1A2MEN1RAB9A
SCHEMBL11729296 0.79 PAX8 (0.38) CYP2D6PAX8CYP1A2MEN1RAB9A
SCHEMBL27850528 0.67 MEN1 (0.38) CYP2D6CYP1A2MEN1KMT2AALDH1A1
SCHEMBL8535698 0.67 CYP2D6 (0.43) CYP2D6CYP1A2MEN1KMT2AALDH1A1
SCHEMBL3186827 0.64 CYP2D6 (0.50) CYP2D6CYP1A2MEN1KMT2AALDH1A1
SCHEMBL29052062 0.64 PAX8 (0.44) CYP2D6PAX8CYP1A2MEN1KMT2A
SCHEMBL27777922 0.62 PAX8 (0.50) PAX8MEN1RAB9AKMT2AALDH1A1
SCHEMBL9550112 0.61 ALDH1A1 (0.43) PAX8CYP1A2MEN1RAB9AKMT2A
SCHEMBL9007689 0.61 PAX8 (0.49) CYP2D6PAX8CYP1A2MEN1KMT2A
SCHEMBL7827858 0.61 HTR2A (0.35) CYP2D6ALDH1A1CYP3A4TSHRMAPT

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-9096624-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2015-08-04 US disclosed
CN-102448955-B Aminopyrimidine Anticancer Compounds OSI PHARM INC 2014-06-18 CN 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
CN-102448955-A Aminopyrimidine Anticancer Compounds OSI PHARM INC 2012-05-09 CN 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 CYP2D6 2142/4885PAX8 4290/4885CYP1A2 3957/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS CYP2D6 2142/4885PAX8 4290/4885CYP1A2 3957/4885

“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.