SCHEMBL8900732

SCHEMBL8900732

Nc1ccc2nc(N[RaH])ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.57
KDM4E B2RXH2 3/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.53
CASP6 P55212 1/20 0.53
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTR1A P08908 2/20 0.47
F2 P00734 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
MAOA P21397 1/20 0.47
DRD1 P21728 1/20 0.47
ACHE P22303 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
OPRM1 P35372 1/20 0.47

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
SCHEMBL8900693 0.78 HTR3A (0.42) KDM4ELMNAHTTMEN1KMT2A
SCHEMBL8901397 0.77 BACE1 (0.53) KDM4EHTTMEN1KMT2AALDH1A1
SCHEMBL7820370 0.77 PLAU (0.52) PLAUKDM4ELMNAPOLBCASP6
SCHEMBL8901387 0.77 CA12 (0.37) PLAU
SCHEMBL15651778 0.75 PLAU (0.50) PLAUKDM4ELMNAPOLBCASP6
SCHEMBL7820366 0.75 LMNA (0.51) PLAUKDM4ELMNAPOLBCASP6
SCHEMBL8902362 0.74 EGFR (0.45) POLBCASP6MEN1KMT2AMAPT
SCHEMBL517252 0.74 PLAU (0.69) PLAUKDM4ELMNAPOLBCASP6
SCHEMBL8900251 0.73 HRH3 (0.43) KDM4EHRH3MAPTDYRK1A
SCHEMBL3412309 0.73 PLAU (1.00) PLAUKDM4ELMNAPOLBCASP6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188284-B2 2-aminoquinolines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-20090227583-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-09-10 US 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-20090227583-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2B PLAU 3731/4885KDM4E 1411/4885LMNA 3773/4885

“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.