SCHEMBL4100574

SCHEMBL4100574

COc1cccc2c1C(Nc1ccc3cc(Nc4cc(C)on4)ccc3n1)CO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
TP53 P04637 1/20 0.36
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 2/20 0.34
ALOX12 P18054 1/20 0.34
RAB9A P51151 1/20 0.33
BRAF P15056 1/20 0.32
SLC2A1 P11166 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
EPHA2 P29317 1/20 0.31
KDR P35968 1/20 0.31
IGF1R P08069 2/20 0.31
METAP2 P50579 1/20 0.31

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
SCHEMBL4115052 0.88 MAPT (0.39) MAPTTP53POLBRAB9ASLC2A1
SCHEMBL4100569 0.86 DOT1L (0.41) MAPTTP53POLBGAARAB9A
SCHEMBL4100059 0.84 RIPK1 (0.37) MAPTTP53GAARAB9ALMNA
SCHEMBL4112522 0.84 MAPT (0.38) MAPTTP53POLBCYP1A2CYP3A4
SCHEMBL4111414 0.83 HCRTR1 (0.40) MAPTTP53POLBBRAFSLC2A1
SCHEMBL3403271 0.81 XIAP (0.35)
SCHEMBL3410142 0.81 HTR1A (0.42) POLBLMNAKMT2A
SCHEMBL4117964 0.80 SYK (0.44) IGF1R
SCHEMBL3415182 0.77 HTR1A (0.47) MAPTPOLBRAB9ALMNAL3MBTL1
SCHEMBL4102664 0.75 ALDH1A1 (0.45) MAPTTP53POLBMEN1KMT2A

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 4792/4885POLB 2930/4885

“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.