SCHEMBL2780680

SCHEMBL2780680

COc1cccc(Cl)c1CNC(=N)Nc1ccc(C#N)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C8 P10632 1/20 0.39
PDE5A O76074 1/20 0.38
HPGDS O60760 1/20 0.37
SIRT2 Q8IXJ6 2/20 0.37
NTRK1 P04629 1/20 0.37
NTRK3 Q16288 1/20 0.37
NTRK2 Q16620 1/20 0.37
TMPRSS4 Q9NRS4 1/20 0.37
MET P08581 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SRC P12931 1/20 0.36
TYK2 P29597 1/20 0.36
MAPK1 P28482 3/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
Acetic Acid SCHEMBL2785032 0.95 HCRTR1 (0.41) HCRTR1HCRTR2CYP2C19CYP2C8SIRT2
SCHEMBL2780626 0.93 HCRTR1 (0.41) HCRTR1HCRTR2CYP2C19CYP2C8HPGDS
SCHEMBL2780807 0.89 HCRTR1 (0.39) HCRTR1HCRTR2CYP2C19CYP2C8HPGDS
Acetic Acid SCHEMBL2780795 0.88 HCRTR2 (0.44) HCRTR1HCRTR2CYP2C19CYP2C8MEN1
SCHEMBL2782892 0.88 MAPK1 (0.46) HCRTR1HCRTR2CYP2C19CYP2C8HPGDS
SCHEMBL2778249 0.85 KMT2A (0.46) METMEN1KMT2AMAPK1LMNA
Acetic Acid SCHEMBL2783102 0.84 HCRTR2 (0.42) HCRTR1HCRTR2CYP2C19CYP2C8MEN1
SCHEMBL2782926 0.84 MET (0.38) CYP2C19METMEN1KMT2AMAPK1
Acetic Acid SCHEMBL2782951 0.84 MAPK1 (0.47) HCRTR1HCRTR2CYP2C19CYP2C8MEN1
SCHEMBL2781548 0.83 NTRK1 (0.50) HCRTR1HCRTR2CYP2C19CYP2C8NTRK1

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 HCRTR1 651/4885HCRTR2 533/4885CYP2C19 412/4885

“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.