SCHEMBL7531093

SCHEMBL7531093

CCNc1cc2ncnc(NCc3ccccc3NCC(C)C)c2cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.50
ABCG2 Q9UNQ0 1/20 0.43
PDGFRB P09619 1/20 0.42
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PPARG P37231 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
FBP1 P09467 1/20 0.39
MAP4K4 O95819 1/20 0.38

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
SCHEMBL7520053 0.93 EGFR (0.56) EGFRABCG2PDGFRBMAPK1ALDH1A1
SCHEMBL7523721 0.90 EGFR (0.51) EGFRABCG2PDGFRBMAPK1ALDH1A1
SCHEMBL7526231 0.89 EGFR (0.52) EGFRABCG2PDGFRBMAPK1ALDH1A1
SCHEMBL7520151 0.89 EGFR (0.53) EGFRABCG2PDGFRBMAPK1ALDH1A1
SCHEMBL7517582 0.87 EGFR (0.50) EGFRABCG2PDGFRBMAPK1ALDH1A1
SCHEMBL7520287 0.87 EGFR (0.50) EGFRABCG2PDGFRBMAPK1ALDH1A1
SCHEMBL7527180 0.86 EGFR (0.52) EGFRABCG2PDGFRBMAPK1ALDH1A1
SCHEMBL7523619 0.85 EGFR (0.48) EGFRABCG2PDGFRBMAPK1ALDH1A1
SCHEMBL7517861 0.85 EGFR (0.48) EGFRABCG2PDGFRBMAPK1ALDH1A1
SCHEMBL8796332 0.85 EGFR (0.50) EGFRABCG2PDGFRBMAPK1ALDH1A1

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-20020193389-A1 Method of inhibiting neoplastic cells with imidazoquinazoline derivatives OSI PHARMACEUTICALS, INC. 2002-12-19 US disclosed
US-6127541-A 8-((DISUBSTITUTED AMINO)BENZYLAMINO)-2,3-DIHYDRO-1H-IMIDAZO(4,5-G)QUINAZOLINE-(2-THIONE OR 2-ONE); SELECTIVE CYCLIC GUANOSINE 3',5' MONOPHOSPHATE (CGMP)--SPECIFIC PHOSPHODIESTERASE (PDE) INHIBITORY ACTIVITY KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-10-03 US disclosed
EP-0863144-A1 IMIDAZOQUINAZOLINE DERIVATIVES Kyowa Hakko Co., Ltd. (JP) 1998-09-09 EP 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-20020193389-A1 Method of inhibiting neoplastic cells with imidazoquinazoline derivatives MKI67, HRAS, VHL EGFR 3583/4885ABCG2 3232/4885PDGFRB 3113/4885

“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.