SCHEMBL1806303

SCHEMBL1806303

Cc1cc(-c2cc(C)c([N+](=O)[O-])cc2C)on1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 7/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 2/20 0.39
MAPT P10636 5/20 0.38
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
MEN1 O00255 4/20 0.36
HPGD P15428 2/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36

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
SCHEMBL1804119 0.74 AAK1 (0.49) KMT2AALDH1A1TSHRGAAMAPT
SCHEMBL8053279 0.73 TSHR (0.58) ALDH1A1TSHRGAAMAPTCYP1A2
SCHEMBL1804335 0.72 KMT2A (0.40) KMT2AALDH1A1TSHRGAAMAPT
SCHEMBL1804345 0.71 TSHR (0.45) KMT2AALDH1A1TSHRKDM4EUSP2
SCHEMBL29479089 0.69 TSHR (0.54) ALDH1A1TSHRGAAMAPTCYP1A2
SCHEMBL2352240 0.69 TSHR (0.54) ALDH1A1TSHRKDM4EGAAMAPT
SCHEMBL799656 0.69 TSHR (0.54) ALDH1A1TSHRGAAMAPTCYP1A2
SCHEMBL7985184 0.69 CSF1R (0.43) ALDH1A1TSHRKDM4EUSP2MAPT
SCHEMBL1806076 0.68 GAA (0.44) KMT2AALDH1A1TSHRKDM4EGAA
SCHEMBL11554386 0.67 CYP1A2 (0.52) KMT2AALDH1A1TSHRMAPTCYP1A2

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 4 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
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
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 KMT2A 2607/4885ALDH1A1 618/4885TSHR 2020/4885

“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.