SCHEMBL4932077

SCHEMBL4932077

Fc1ccccc1NCCN1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
DRD3 P35462 1/20 0.59
HRH3 Q9Y5N1 1/20 0.51
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
DPP7 Q9UHL4 1/20 0.47
ACP1 P24666 1/20 0.47
SMARCA2 P51531 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
APAF1 O14727 1/20 0.44
NPC1 O15118 1/20 0.44
NSD2 O96028 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL4922627 0.79 DRD3 (0.63) MEN1KMT2ADRD3HRH3DPP7
SCHEMBL5770043 0.79 DRD3 (0.59) MEN1KMT2ADRD3HRH3DPP7
SCHEMBL11722763 0.79 DRD3 (0.59) MEN1KMT2ADRD3HRH3ALDH1A1
SCHEMBL4932045 0.78 DPP7 (0.58) MEN1KMT2ADRD3ALDH1A1DPP7
SCHEMBL791880 0.78 DRD3 (0.61) MEN1KMT2ADRD3HRH3ACP1
SCHEMBL5884397 0.78 DRD3 (0.57) MEN1KMT2ADRD3HRH3ALDH1A1
SCHEMBL8673780 0.77 POLB (0.59) MEN1KMT2ADRD3HRH3ALDH1A1
Hydrochloric Acid SCHEMBL5753957 0.77 DPP7 (0.56) MEN1KMT2ADRD3ALDH1A1DPP7
SCHEMBL16583873 0.76 SIGMAR1 (0.45) MEN1KMT2ADRD3HRH3ACP1
SCHEMBL8560287 0.76 DRD3 (0.58) MEN1KMT2ADRD3HRH3ALDH1A1

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
CN-1830978-B Pyrazolo [4,3-c]-quinolin-3-one compound, preparation method and use thereof INST PHARM & TOXICOLOGY AMMS 2010-06-16 CN disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 US disclosed
CN-1830978-A Pyrazolo [4,3c]-quinolin-3-one compound, prepn. method and use thereof VENENUM MEDICINE RES INST OF M (CN) 2006-09-13 CN 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-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 MEN1 2030/4885KMT2A 3849/4885DRD3 2434/4885

“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.