SCHEMBL750710

SCHEMBL750710

COc1ccnc(Nc2c[c]nc(C)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.43
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
KDR P35968 1/20 0.41
PLA2G2A P14555 3/20 0.41
PTGS2 P35354 1/20 0.41
MAP3K12 Q12852 2/20 0.40
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
TGFBR1 P36897 4/20 0.39
RIOK2 Q9BVS4 3/20 0.38
GSK3A P49840 1/20 0.38
MAPK10 P53779 1/20 0.38
EGFR P00533 1/20 0.37
ROCK1 Q13464 1/20 0.36

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
SCHEMBL765373 0.79 TRPV4 (0.42) TRPV4
SCHEMBL754397 0.77 MAPT (0.53)
SCHEMBL750473 0.75 KMT2A (0.46) TRPV4KDRMAPK10
SCHEMBL753408 0.75 KDM4E (0.36) KDRMAPK10
SCHEMBL30842882 0.71 KDR (0.55) NOS3NOS1NOS2KDRPLA2G2A
SCHEMBL16264733 0.71 KDR (0.51) TRPV4NOS3NOS1NOS2KDR
SCHEMBL18083736 0.71 EGFR (0.47) TRPV4NOS3NOS1NOS2KDR
SCHEMBL751265 0.71 GSK3A (0.40) KDRTGFBR1GSK3A
SCHEMBL13726219 0.70 TRPV4 (0.44) TRPV4NOS3NOS1NOS2KDR
SCHEMBL751445 0.69 MAPT (0.33)

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 4478/4885NOS3 3793/4885NOS1 4083/4885

“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.