SCHEMBL2782078

SCHEMBL2782078

CCOc1ccccc1CNC(N)=Nc1ccc(C)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 4/20 0.51
▸ ADRA2B P18089 4/20 0.51
▸ ADRA2C P18825 4/20 0.51
▸ PLAU P00749 1/20 0.46
▸ CCNC P24863 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ ATM Q13315 3/20 0.41
▸ THRB P10828 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PLEC Q15149 1/20 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
SCHEMBL4629712 0.89 ADRA2A (0.52) ADRA2AADRA2BADRA2CPLAUALDH1A1
SCHEMBL2777858 0.86 ADRA2A (0.49) ADRA2AADRA2BADRA2CPLAUALDH1A1
SCHEMBL2779762 0.85 ADRA2A (0.55) ADRA2AADRA2BADRA2CPLAUTP53
SCHEMBL2779380 0.85 ADRA2A (0.48) ADRA2AADRA2BADRA2CPLAUPOLB
SCHEMBL2781731 0.82 ADRA2A (0.54) ADRA2AADRA2BADRA2CPLAUTP53
SCHEMBL2780441 0.82 CCNC (0.43) ADRA2AADRA2BADRA2CPLAUCCNC
SCHEMBL2780849 0.79 ADRA2A (0.50) ADRA2AADRA2BADRA2CPLAUALDH1A1
SCHEMBL2781942 0.76 HTT (0.52) TP53ALDH1A1MEN1GAAKMT2A
SCHEMBL2780340 0.76 ADRA2A (0.47) ADRA2AADRA2BADRA2CPLAUMEN1
SCHEMBL2442040 0.74 LMNA (0.48) CCNCCDK8TP53ALDH1A1HTR7

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 ADRA2A 78/4885ADRA2B 67/4885ADRA2C 31/4885

“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.

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