SCHEMBL22356451

SCHEMBL22356451

C=CC(=O)Oc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RHOA P61586 1/20 0.55
EGFR P00533 13/20 0.49
ITK Q08881 5/20 0.49
BTK Q06187 7/20 0.47
KCNH3 Q9ULD8 2/20 0.45
IDH2 P48735 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
MAP3K7 O43318 1/20 0.42
MAPK1 P28482 1/20 0.42
MAP2K1 Q02750 1/20 0.42

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
SCHEMBL22356444 1.00 RHOA (0.55) RHOAEGFRITKBTKKCNH3
SCHEMBL22356453 0.96 EGFR (0.48) RHOAEGFRITKBTKKCNH3
SCHEMBL22356445 0.94 RHOA (0.49) RHOAEGFRITKBTKMEN1
SCHEMBL22356391 0.90 RHOA (0.54) RHOAEGFRITKBTKIDH2
SCHEMBL22356433 0.90 RHOA (0.54) RHOAEGFRITKBTKIDH2
SCHEMBL22356455 0.89 SYK (0.46) RHOAEGFRITKKCNH3KMT2A
SCHEMBL22356441 0.89 SYK (0.46) RHOAEGFRITKKCNH3KMT2A
SCHEMBL22356381 0.89 RHOA (0.51) RHOAEGFRITKBTKKCNH3
SCHEMBL22356392 0.87 RHOA (0.49) RHOAEGFRITKBTK
SCHEMBL22356482 0.87 MAPT (0.51) RHOAEGFRITKBTKKCNH3

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-20200262798-A1 NOVEL TRIAZINE DERIVATIVE AND PHOTOSENSITIVE COMPOSITION COMPRISING SAME TREEEL CO., LTD (KR) 2020-08-20 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-20200262798-A1 NOVEL TRIAZINE DERIVATIVE AND PHOTOSENSITIVE COMPOSITION COMPRISING SAME TYR, CRY2, CRY1 RHOA 3916/4885EGFR 2575/4885ITK 1348/4885

“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.