SCHEMBL7526368

SCHEMBL7526368

CCNc1cc2ncnc(NCc3ccc(NC(C)C)cc3)c2cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.46
PDGFRB P09619 1/20 0.43
ERBB2 P04626 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.40
AURKA O14965 1/20 0.40
FBP1 P09467 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
SCHEMBL7524564 0.91 EGFR (0.50) EGFRPDGFRBERBB2KDM4EALDH1A1
SCHEMBL7521999 0.89 EGFR (0.50) EGFRPDGFRBERBB2KDM4EALDH1A1
SCHEMBL7522588 0.87 EGFR (0.47) EGFRPDGFRBERBB2KDM4EALDH1A1
SCHEMBL7531564 0.87 EGFR (0.57) EGFRPDGFRBKDM4EHTTAURKA
SCHEMBL8825884 0.87 ALDH1A1 (0.55) EGFRERBB2KDM4EALDH1A1HTT
SCHEMBL8795709 0.86 EGFR (0.49) EGFRPDGFRBERBB2KDM4EALDH1A1
SCHEMBL8825554 0.86 EGFR (0.57) EGFRERBB2KDM4EALDH1A1HTT
SCHEMBL8825977 0.86 MAPK1 (0.55) EGFRERBB2HTTMAPK1
SCHEMBL8825839 0.86 EGFR (0.62) EGFRKDM4EHTTMAPK1
SCHEMBL7520792 0.86 EGFR (0.45) EGFRPDGFRBERBB2KDM4EALDH1A1

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 3113/4885ERBB2 2621/4885

“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.