SCHEMBL7526254

SCHEMBL7526254

CCNc1cc2ncnc(NCc3ccccc3N3CCCCCCC3)c2cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.48
PDGFRB P09619 1/20 0.48
MAPT P10636 4/20 0.45
PDE5A O76074 1/20 0.43
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
KMT2A Q03164 1/20 0.41
PIK3CA P42336 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL7527697 1.00 EGFR (0.48) EGFRPDGFRBMAPTPDE5AACHE
SCHEMBL7530560 1.00 EGFR (0.48) EGFRPDGFRBMAPTPDE5AACHE
SCHEMBL7521455 0.99 EGFR (0.48) EGFRPDGFRBMAPTPDE5AACHE
SCHEMBL7521565 0.93 PDGFRB (0.47) EGFRPDGFRBMAPTPDE5AACHE
SCHEMBL7527938 0.92 PDGFRB (0.49) EGFRPDGFRBPDE5AACHEBACE1
SCHEMBL7527163 0.91 PDGFRB (0.48) EGFRPDGFRBMAPTPDE5AACHE
SCHEMBL7514367 0.91 MAPT (0.48) EGFRPDGFRBMAPTPDE5AACHE
SCHEMBL7528018 0.91 EGFR (0.47) EGFRPDGFRBMAPTPDE5AACHE
SCHEMBL8796375 0.89 EGFR (0.48) EGFRPDGFRBMAPTPIK3CAALDH1A1
SCHEMBL7521285 0.88 PDE5A (0.58) EGFRPDGFRBMAPTPDE5AACHE

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 3583/4885PDGFRB 3113/4885MAPT 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.