SCHEMBL22356452

SCHEMBL22356452

C=C(C)C(=O)Oc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3cccc(OC(=O)C(=C)C)c3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOA P61586 1/20 0.52
KCNH3 Q9ULD8 5/20 0.46
ELANE P08246 1/20 0.46
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
IDH2 P48735 1/20 0.43
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
EGFR P00533 5/20 0.42
ITK Q08881 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSP90AA1 P07900 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
BTK Q06187 2/20 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
SCHEMBL22356351 1.00 RHOA (0.52) RHOAKCNH3ELANEMTNR1AMTNR1B
SCHEMBL22356390 0.99 RHOA (0.51) RHOAKCNH3ELANEMTNR1AMTNR1B
SCHEMBL22356437 0.99 RHOA (0.51) RHOAKCNH3ELANEMTNR1AMTNR1B
SCHEMBL22356454 0.96 KCNH3 (0.47) RHOAKCNH3ELANEMTNR1AMTNR1B
SCHEMBL22356492 0.95 KCNH3 (0.46) RHOAKCNH3ELANEMTNR1AMTNR1B
SCHEMBL22356447 0.94 RHOA (0.47) RHOAKCNH3ELANETAAR1EGFR
SCHEMBL22356430 0.90 MTNR1B (0.51) KCNH3MTNR1AMTNR1BKDM4EMAPT
SCHEMBL22356460 0.90 SYK (0.47) RHOAKCNH3EGFRITKALDH1A1
SCHEMBL22356457 0.90 SYK (0.47) RHOAKCNH3EGFRITKALDH1A1
SCHEMBL22356340 0.88 MAPT (0.56) RHOAKCNH3ELANEHTTKDM4E

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 3916/4885KCNH3 563/4885ELANE 2874/4885

“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.