SCHEMBL7523619

SCHEMBL7523619

CCNc1cc2ncnc(NCc3ccccc3NCCCO)c2cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.48
PDGFRB P09619 1/20 0.43
MAPT P10636 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.41
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 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
SCHEMBL7525186 0.97 EGFR (0.48) EGFRPDGFRBMAPTABCG2MAPK1
SCHEMBL7517582 0.95 EGFR (0.50) EGFRPDGFRBMAPTABCG2MAPK1
SCHEMBL7520287 0.93 EGFR (0.50) EGFRPDGFRBMAPTABCG2MAPK1
SCHEMBL7520053 0.92 EGFR (0.56) EGFRPDGFRBABCG2MAPK1ALDH1A1
SCHEMBL7526231 0.91 EGFR (0.52) EGFRPDGFRBABCG2MAPK1ALDH1A1
SCHEMBL7525863 0.90 EGFR (0.46) EGFRPDGFRBMAPTABCG2MAPK1
SCHEMBL7527180 0.88 EGFR (0.52) EGFRPDGFRBABCG2MAPK1ALDH1A1
SCHEMBL7517861 0.88 EGFR (0.48) EGFRPDGFRBMAPTABCG2MAPK1
SCHEMBL7520151 0.87 EGFR (0.53) EGFRPDGFRBABCG2MAPK1ALDH1A1
SCHEMBL8796440 0.87 EGFR (0.53) EGFRPDGFRBABCG2MAPK1ALDH1A1

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.