SCHEMBL765373

SCHEMBL765373

COc1ccc(Nc2c[c]nc(C)n2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.42
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LYN P07948 1/20 0.38
SRC P12931 1/20 0.38
BTK Q06187 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
TYK2 P29597 2/20 0.34
JAK2 O60674 1/20 0.34
KIT P10721 1/20 0.34
JAK1 P23458 1/20 0.34
KCNH2 Q12809 1/20 0.34
BRD4 O60885 1/20 0.34
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL754397 0.81 MAPT (0.53) ALDH1A1GAATDP1RAB9ANPC1
SCHEMBL750710 0.79 TRPV4 (0.43) TRPV4
SCHEMBL16245710 0.75 GAA (0.56) TRPV4ALDH1A1GAATDP1LYN
SCHEMBL751265 0.72 GSK3A (0.40) LYNSRCBTK
SCHEMBL25296982 0.70 RAB9A (0.56) TRPV4ALDH1A1GAALYNSRC
SCHEMBL30395585 0.70 RAB9A (0.56) TRPV4ALDH1A1GAALYNSRC
SCHEMBL750531 0.70
SCHEMBL753408 0.70 KDM4E (0.36) ALDH1A1GAALYNSRCBTK
SCHEMBL752221 0.69 PIK3CA (0.32) ALDH1A1LYNSRCBTKLMNA
SCHEMBL751445 0.68 MAPT (0.33) MAPT

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
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP disclosed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US disclosed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP disclosed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD TRPV4 4478/4885ALDH1A1 4785/4885GAA 684/4885

“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.