SCHEMBL7520833

SCHEMBL7520833

N#Cc1ccccc1N1CCC(CO)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.49
KMT2A Q03164 1/20 0.47
DRD4 P21917 4/20 0.46
DRD2 P14416 3/20 0.46
GRM5 P41594 1/20 0.46
PTPN1 P18031 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
DRD3 P35462 2/20 0.42
AR P10275 2/20 0.42
THRB P10828 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADAM17 P78536 1/20 0.41
C5AR1 P21730 1/20 0.41

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
SCHEMBL7527672 0.88 CHRM4 (0.53) CHRM4DRD4DRD2GRM5KDM4E
SCHEMBL2341786 0.87 HTR2A (0.44) KMT2ADRD4DRD2GRM5ALDH1A1
SCHEMBL30163903 0.84 CHRM4 (0.46) CHRM4DRD4DRD2GRM5KDM4E
SCHEMBL8222584 0.84 CHRM4 (0.46) CHRM4DRD4DRD2GRM5KDM4E
SCHEMBL3605550 0.84 AR (0.64) AR
SCHEMBL7522691 0.82 PTPN1 (0.50) CHRM4KMT2ADRD4DRD2PTPN1
SCHEMBL13622664 0.82 FFAR4 (0.56) CHRM4DRD4DRD2GRM5DRD3
SCHEMBL20140119 0.81 GRM5 (0.49) CHRM4KMT2ADRD4DRD2GRM5
SCHEMBL8006055 0.81 PDCD1 (0.43) CHRM4PTPN1C5AR1
SCHEMBL7519811 0.81 CHRM4 (0.45) CHRM4DRD4DRD2GRM5KDM4E

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 CHRM4 4553/4885KMT2A 1337/4885DRD4 4609/4885

“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.