SCHEMBL2777876

SCHEMBL2777876

COc1cccc(OC)c1CNC(N)=Nc1cnc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 3/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
NFKB1 P19838 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
KMT2A Q03164 2/20 0.40
ALOX12 P18054 1/20 0.40
MEN1 O00255 1/20 0.40
ALPL P05186 6/20 0.40
PGK1 P00558 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IGF1R P08069 2/20 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
SCHEMBL2780567 0.89 ALDH1A1 (0.51) SMN1; SMN2KDM4ELMNAALDH1A1GAA
SCHEMBL2780293 0.83 KDM4E (0.43) SMN1; SMN2KDM4ELMNAALDH1A1GAA
SCHEMBL2780729 0.80 PLAU (0.50) SMN1; SMN2KDM4ELMNAALDH1A1GAA
SCHEMBL17620896 0.78 KMT2A (0.45) SMN1; SMN2KDM4ELMNAALDH1A1GAA
SCHEMBL2777872 0.75 KDM4E (0.56) SMN1; SMN2KDM4ELMNAALDH1A1GAA
SCHEMBL2781212 0.74 PLAU (0.46) KDM4EALDH1A1NPC1MAPTHPGD
SCHEMBL2780662 0.74 ADRA2A (0.53) KDM4EALDH1A1NPC1RAB9AKMT2A
SCHEMBL2782499 0.72 MEN1 (0.47) SMN1; SMN2KDM4ELMNAALDH1A1GAA
SCHEMBL2780849 0.72 ADRA2A (0.50) SMN1; SMN2KDM4ELMNAALDH1A1GAA
SCHEMBL2779998 0.72 ROCK2 (0.42) SMN1; SMN2KDM4EALDH1A1MAPTHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US claimed
US-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US disclosed
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-07-22 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-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors HTR5A, HTR2C, HTR1E SMN1; SMN2 1825/4885KDM4E 3290/4885LMNA 3254/4885

“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.