SCHEMBL22356454

SCHEMBL22356454

C=C(C)C(=O)Oc1cccc(Nc2nc(Nc3cccc(OC(=O)C(=C)C)c3)nc(Nc3cccc(OC(=O)C(=C)C)c3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 2/20 0.47
RHOA P61586 1/20 0.46
EGFR P00533 3/20 0.44
ITK Q08881 2/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ELANE P08246 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 2/20 0.41
SYK P43405 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
GBA1 P04062 1/20 0.39

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
SCHEMBL22356492 0.99 KCNH3 (0.46) KCNH3RHOAEGFRITKMTNR1A
SCHEMBL22356452 0.96 RHOA (0.52) KCNH3RHOAEGFRITKMTNR1A
SCHEMBL22356351 0.96 RHOA (0.52) KCNH3RHOAEGFRITKMTNR1A
SCHEMBL22356390 0.95 RHOA (0.51) KCNH3RHOAEGFRITKMTNR1A
SCHEMBL22356437 0.95 RHOA (0.51) KCNH3RHOAEGFRITKMTNR1A
SCHEMBL22356457 0.94 SYK (0.47) KCNH3RHOAEGFRITKSYK
SCHEMBL22356460 0.94 SYK (0.47) KCNH3RHOAEGFRITKSYK
SCHEMBL22356430 0.91 MTNR1B (0.51) KCNH3MTNR1AMTNR1BMEN1KMT2A
SCHEMBL22356477 0.90 EGFR (0.43) KCNH3EGFRITKSYK
SCHEMBL22356447 0.90 RHOA (0.47) KCNH3RHOAEGFRITKMEN1

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 KCNH3 563/4885RHOA 3916/4885EGFR 2575/4885

“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.