SCHEMBL16660240

SCHEMBL16660240

COc1cc(-c2cc(NCC(C)C)ncn2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.48
HRH4 Q9H3N8 2/20 0.47
CYP1A2 P05177 9/20 0.45
CYP3A4 P08684 9/20 0.45
CYP2D6 P10635 9/20 0.45
TSHR P16473 9/20 0.45
CYP2C19 P33261 9/20 0.45
CLK4 Q9HAZ1 8/20 0.45
MAPK1 P28482 5/20 0.45
HSD17B10 Q99714 4/20 0.44
TP53 P04637 4/20 0.44
HIF1A Q16665 2/20 0.44
ALOX15 P16050 2/20 0.43
LMNA P02545 4/20 0.43
PIK3CA P42336 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
KMT2A Q03164 1/20 0.42
THRB P10828 1/20 0.41

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
SCHEMBL15473058 0.86 FAAH (0.49) FAAHHRH4CYP1A2CYP3A4CYP2D6
SCHEMBL16664967 0.84 CYP1A2 (0.45) FAAHCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL12764505 0.81 HRH4 (0.47) FAAHHRH4TSHRCYP2C19TP53
SCHEMBL15356483 0.79 HRH4 (0.47) FAAHHRH4PIK3CA
SCHEMBL16664984 0.78 FAAH (0.46) FAAHHRH4CYP1A2CYP3A4CYP2D6
SCHEMBL15343308 0.74 AAK1 (0.50) FAAHHRH4CYP1A2CYP3A4CYP2D6
SCHEMBL15343419 0.74 FAAH (0.50) FAAHHRH4PIK3CA
SCHEMBL17700604 0.74 LOX (0.45) HRH4CYP3A4
SCHEMBL16664939 0.74 CLK4 (0.42) FAAHCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL15343067 0.73 AURKA (0.46) FAAHHRH4CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150111871-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-04-23 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-20150111871-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK FAAH 3955/4885HRH4 2433/4885CYP1A2 2215/4885

“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.