SCHEMBL4187540

SCHEMBL4187540

COc1ccccc1-c1cncc(NCc2ccc(N(C)C)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.64
CYP1A2 P05177 6/20 0.46
CYP2D6 P10635 6/20 0.46
CYP3A4 P08684 5/20 0.46
CYP2C19 P33261 5/20 0.46
HSD17B10 Q99714 5/20 0.46
CYP2C9 P11712 4/20 0.46
TSHR P16473 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 4/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 2/20 0.46
FFAR1 O14842 1/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
CLK4 Q9HAZ1 3/20 0.44
ALOX15 P16050 1/20 0.44
CLK1 P49759 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
SCHEMBL4191461 0.89 KCNH2 (0.62) KCNH2CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL4187538 0.80 KCNH2 (0.64) KCNH2CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL13426058 0.76 KCNH2 (0.59) KCNH2CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL31015546 0.72 KDM4E (0.48) KCNH2CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL1846278 0.71 HDAC1 (0.51) CYP1A2CYP2D6CYP2C19CYP2C9ALDH1A1
SCHEMBL4190046 0.70 KCNH2 (0.61) KCNH2CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL4189065 0.69 ALDH1A1 (0.56) KCNH2ALDH1A1KDM4EHPGDTDP1
SCHEMBL4189057 0.69 ALPL (0.52) KCNH2CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL16668814 0.69 RAB9A (0.69) CYP1A2CYP2D6CYP3A4CYP2C19HSD17B10
SCHEMBL2469342 0.69 HIF1A (0.59) CYP1A2CYP2D6CYP3A4CYP2C19HSD17B10

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
US-20090196912-A1 Pyridinylamines GPC BOTECH AG (DE) 2009-08-06 US disclosed
EP-1789393-A2 PYRIDINYLAMINES GPC Biotech AG (DE) 2007-05-30 EP disclosed
WO-2006010637-A2 PYRIDINYLAMINES GPC BIOTECH AG (DE) 2006-02-02 WO 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-20090196912-A1 Pyridinylamines PRNP, PLPBP, SNCA KCNH2 763/4885CYP1A2 775/4885CYP2D6 842/4885

“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.