SCHEMBL7520287

SCHEMBL7520287

CCCCNc1ccccc1CNc1ncnc2cc(NCC)c([N+](=O)[O-])cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.50
ABCG2 Q9UNQ0 1/20 0.45
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
PDGFRB P09619 1/20 0.42
FBP1 P09467 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
S1PR2 O95136 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL7526231 0.94 EGFR (0.52) EGFRABCG2MAPK1PDGFRBFBP1
SCHEMBL7520053 0.93 EGFR (0.56) EGFRABCG2MAPK1SMN1; SMN2PDGFRB
SCHEMBL7523619 0.93 EGFR (0.48) EGFRABCG2MAPTMAPK1LMNA
SCHEMBL7525186 0.92 EGFR (0.48) EGFRABCG2MAPTMAPK1LMNA
SCHEMBL8796704 0.91 EGFR (0.50) EGFRABCG2MAPK1PDGFRBFBP1
SCHEMBL7517582 0.91 EGFR (0.50) EGFRABCG2MAPTMAPK1LMNA
SCHEMBL7527180 0.90 EGFR (0.52) EGFRABCG2MAPK1PDGFRBFBP1
SCHEMBL7517861 0.89 EGFR (0.48) EGFRABCG2MAPTMAPK1LMNA
SCHEMBL7520151 0.89 EGFR (0.53) EGFRABCG2MAPK1SMN1; SMN2PDGFRB
SCHEMBL7531093 0.87 EGFR (0.50) EGFRABCG2MAPK1PDGFRBFBP1

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 3232/4885MAPT 4593/4885

“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.