SCHEMBL2779768

SCHEMBL2779768

COc1cccc(OC)c1CNC(=N)Nc1cccc(Cc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.44
NR3C2 P08235 1/20 0.42
RXFP1 Q9HBX9 1/20 0.39
BRD4 O60885 1/20 0.39
HIF1A Q16665 1/20 0.39
PTPN1 P18031 1/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
FAAH O00519 1/20 0.37
CNR2 P34972 1/20 0.37
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.35

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 SCHEMBL2784677 0.96 NR3C2 (0.47) ADORA2ANR3C2RXFP1BRD4HIF1A
SCHEMBL2782653 0.90 NR3C2 (0.49) ADORA2ANR3C2KMT2AMEN1HPGD
Acetic Acid SCHEMBL2784140 0.86 NR3C2 (0.53) ADORA2ANR3C2KMT2AMEN1HPGD
SCHEMBL9390203 0.84 BRD4 (0.43) ADORA2ABRD4KMT2AMEN1HPGD
SCHEMBL2782180 0.81 ADORA3 (0.48) ADORA2ANR3C2RXFP1HIF1AKMT2A
SCHEMBL2782309 0.81 PTPN1 (0.40) HIF1APTPN1KMT2AMEN1FAAH
SCHEMBL2782719 0.81 KMT2A (0.49) RXFP1KMT2AMEN1LMNANPC1
SCHEMBL9391478 0.80 PKM (0.44) ADORA2ANR3C2BRD4HPGDGAA
SCHEMBL2779634 0.80 RXFP1 (0.40) NR3C2RXFP1HIF1AKMT2AMEN1
SCHEMBL2780656 0.78 NPC1 (0.52) KMT2AMEN1TP53GAAALOX12

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 ADORA2A 32/4885NR3C2 620/4885RXFP1 2509/4885

“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.