SCHEMBL7518944

SCHEMBL7518944

CCNc1cc2ncnc(NCc3ccc(N4CCCCC4)cc3)c2cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
CYP1A2 P05177 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
NPSR1 Q6W5P4 3/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDGFRB P09619 1/20 0.45
ALDH1A1 P00352 4/20 0.45
EGFR P00533 1/20 0.44
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
HTR6 P50406 2/20 0.43
DCTPP1 Q9H773 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42

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
SCHEMBL7522631 0.99 MAPT (0.55) MAPTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL7523791 0.92 MAPT (0.53) MAPTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL7528397 0.92 MAPK1 (0.57) MAPTNPSR1MAPK1L3MBTL1PDGFRB
SCHEMBL7519928 0.91 MAPT (0.45) MAPTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL7525906 0.90 MAPT (0.52) MAPTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL8796234 0.89 PIK3CA (0.45) MAPTCYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL8796240 0.88 EGFR (0.45) MAPTCYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL7521458 0.87 PDGFRB (0.43) MAPTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL8795890 0.85 PIK3CA (0.47) PDGFRBALDH1A1EGFRHTTMEN1
SCHEMBL8825884 0.85 ALDH1A1 (0.55) MAPTMAPK1L3MBTL1ALDH1A1EGFR

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 MAPT 4593/4885CYP1A2 2521/4885CYP2C9 3664/4885

“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.