SCHEMBL1804335

SCHEMBL1804335

Cc1cc(-c2cc(C)c([N+](=O)[O-])cc2C)[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.40
MAPT P10636 6/20 0.40
MEN1 O00255 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
ALPL P05186 1/20 0.40
HPGD P15428 5/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TSHR P16473 4/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
RECQL P46063 1/20 0.37
GAA P10253 2/20 0.36
GFER P55789 1/20 0.35
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL7457669 0.78 KMT2A (0.62) KMT2AMAPTMEN1SMN1; SMN2RAB9A
SCHEMBL2609206 0.77 GRK6 (0.47) KMT2AMAPTMEN1SMN1; SMN2RAB9A
SCHEMBL2352240 0.73 TSHR (0.54) MAPTSMN1; SMN2HPGDLMNAALDH1A1
SCHEMBL8053279 0.73 TSHR (0.58) MAPTSMN1; SMN2HPGDALDH1A1TSHR
SCHEMBL1806303 0.72 KMT2A (0.45) KMT2AMAPTMEN1SMN1; SMN2RAB9A
SCHEMBL1807866 0.71 TSHR (0.41) KMT2AMAPTMEN1SMN1; SMN2RAB9A
SCHEMBL5311206 0.71 TSHR (0.56) MAPTSMN1; SMN2HPGDALDH1A1TSHR
SCHEMBL1827794 0.69 MAPT (0.57) MAPTHPGDLMNAALDH1A1TSHR
SCHEMBL29479089 0.69 TSHR (0.54) MAPTSMN1; SMN2HPGDALDH1A1TSHR
SCHEMBL799656 0.69 TSHR (0.54) MAPTSMN1; SMN2HPGDALDH1A1TSHR

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 2607/4885MAPT 4028/4885MEN1 3351/4885

“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.