SCHEMBL4970784

SCHEMBL4970784

COc1ccc2c(Nc3cc([N+](=O)[O-])ccc3C)ncnc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
MAPT P10636 3/20 0.64
HTT P42858 3/20 0.64
EGFR P00533 7/20 0.54
ABCG2 Q9UNQ0 3/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 2/20 0.53
DUSP3 P51452 1/20 0.53
PTPN5 P54829 1/20 0.53
PTPN11 Q06124 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
RET P07949 1/20 0.48
KIF5B P33176 1/20 0.48
KDR P35968 1/20 0.48
MAPK1 P28482 2/20 0.47

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
SCHEMBL27748217 0.86 ABCG2 (0.72) ALDH1A1MAPTHTTEGFRABCG2
Hydrochloric Acid SCHEMBL6786294 0.85 ABCG2 (0.71) ALDH1A1MAPTHTTEGFRABCG2
SCHEMBL5570040 0.83 MEN1 (0.74) ALDH1A1MAPTHTTEGFRABCG2
SCHEMBL5004836 0.82 ABCG2 (0.64) ALDH1A1MAPTHTTEGFRABCG2
SCHEMBL4967530 0.82 EGFR (0.56) ALDH1A1MAPTHTTEGFRABCG2
SCHEMBL6788099 0.77 PDE5A (0.62) ALDH1A1MAPTHTTABCG2RET
SCHEMBL10106211 0.74 ALDH1A1 (0.53) ALDH1A1MAPTHTTEGFRMEN1
SCHEMBL6027639 0.74 EGFR (0.59) ALDH1A1MAPTHTTEGFRABCG2
SCHEMBL371602 0.72 ABCG2 (0.71) ALDH1A1MAPTHTTEGFRABCG2
Hydrochloric Acid SCHEMBL7209973 0.72 GAA (0.49) ALDH1A1MAPTHTTEGFRABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents ASTRAZENECA AB (SE) 2008-12-11 US disclosed
EP-1966159-A2 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-09-10 EP disclosed
WO-2007071963-A2 QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2007-06-28 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-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents BRAF, RAF1, NRAS ALDH1A1 1302/4885MAPT 4149/4885HTT 4522/4885

“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.