SCHEMBL3401620

SCHEMBL3401620

COc1cccc2c1C(Nc1ccc3cc(NC(=O)Cn4cnnc4)ccc3n1)CC2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
DRD4 P21917 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CCKBR P32239 1/20 0.36
MTNR1B P49286 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR1A P08908 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4107429 0.92 PDE4B (0.40) KMT2ADRD4ALDH1A1MTNR1BMAPT
SCHEMBL7606814 0.89 MTNR1B (0.42) KMT2AALDH1A1MTNR1BSMN1; SMN2HTR1A
SCHEMBL4097577 0.89 ALDH1A1 (0.45) KMT2ADRD4ALDH1A1SMN1; SMN2MAPT
SCHEMBL3408996 0.89 DRD4 (0.44) KMT2ADRD4ALDH1A1SMN1; SMN2MAPT
SCHEMBL4117925 0.88 MTNR1B (0.43) KMT2AMTNR1BHTR1AMAPTMEN1
SCHEMBL4116721 0.87 DRD4 (0.42) KMT2ADRD4ALDH1A1SMN1; SMN2MAPT
SCHEMBL4108706 0.87 ADRA2B (0.40) ALDH1A1MTNR1BSMN1; SMN2HTR1ATSHR
SCHEMBL4116713 0.85 TERT (0.36) KMT2AMTNR1BHTR1AMEN1KDM4E
SCHEMBL4108788 0.85 KDM4E (0.43) KMT2ASMN1; SMN2MAPTMEN1KDM4E
SCHEMBL4097052 0.84 MAPK1 (0.46) KMT2ADRD4ALDH1A1SMN1; SMN2MAPT

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 6 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 claimed
US-20090227583-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-09-10 US claimed
US-8188284-B2 2-aminoquinolines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-2252372-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-11-24 EP disclosed
WO-2009109502-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO 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 KMT2A 1042/4885DRD4 57/4885ALDH1A1 2403/4885

“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.