SCHEMBL4112522

SCHEMBL4112522

COc1cccc2c1C(Nc1ccc3cc(Nc4cc(C)on4)ccc3n1)CC2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.38
PFKFB3 Q16875 3/20 0.37
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.34
SLC2A1 P11166 1/20 0.34
EGFR P00533 1/20 0.33
RAB9A P51151 1/20 0.33
HTR1A P08908 2/20 0.32
DRD2 P14416 2/20 0.32
BRAF P15056 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL4105020 0.87 MAPT (0.41) MAPTTP53PFKFB3POLBSLC2A1
SCHEMBL4106847 0.85 EHMT2 (0.44) MAPTTP53PFKFB3RAB9A
SCHEMBL4100574 0.84 MAPT (0.37) MAPTTP53POLBCYP1A2CYP3A4
SCHEMBL4106188 0.82 HCRTR1 (0.42) MAPTTP53PFKFB3POLBSLC2A1
SCHEMBL4117005 0.81 MAPT (0.39) MAPTTP53PFKFB3POLBCYP1A2
SCHEMBL3401615 0.80 PFKFB3 (0.40) PFKFB3EGFRHTR1ADRD2
SCHEMBL3412191 0.80 HTR1A (0.42) PFKFB3EGFRHTR1ADRD2
SCHEMBL4106305 0.79 SYK (0.45)
SCHEMBL3401620 0.79 KMT2A (0.38) MAPTPOLBHTR1A
SCHEMBL7606814 0.79 MTNR1B (0.42) MAPTTP53CYP1A2RAB9AHTR1A

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 4 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
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 MAPT 905/4885TP53 4792/4885PFKFB3 3870/4885

“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.