SCHEMBL2779998

SCHEMBL2779998

COc1cccc(OC)c1CNC(N)=Nc1ccc(-c2ccccc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.42
FYN P06241 4/20 0.41
KIT P10721 2/20 0.40
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
HTT P42858 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
ADORA1 P30542 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NTRK1 P04629 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
PDGFRB P09619 1/20 0.34

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
SCHEMBL17620893 0.92 FYN (0.42) ROCK2FYNKITHTTALDH1A1
SCHEMBL2781942 0.89 HTT (0.52) ROCK2HTTALDH1A1MEN1KMT2A
SCHEMBL2780849 0.85 ADRA2A (0.50) ROCK2ADRA2AADRA2BADRA2CHTT
SCHEMBL2784134 0.84 ROCK2 (0.36) ROCK2ADRA2AADRA2BADRA2CHIF1A
SCHEMBL2778797 0.83 PLAU (0.52) ROCK2FYNADRA2AADRA2BADRA2C
SCHEMBL2780662 0.82 ADRA2A (0.53) ADRA2AADRA2BADRA2CPLAUALDH1A1
SCHEMBL2782184 0.81 AGTR1 (0.39) ROCK2HTTSMN1; SMN2HIF1AALDH1A1
SCHEMBL2780729 0.81 PLAU (0.50) ROCK2HTTSMN1; SMN2HIF1APLG
SCHEMBL2780340 0.80 ADRA2A (0.47) ROCK2ADRA2AADRA2BADRA2CHTT
SCHEMBL2782781 0.79 HTT (0.44) ROCK2HTTSMN1; SMN2ALDH1A1MEN1

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 ROCK2 1943/4885FYN 995/4885KIT 2214/4885

“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.