SCHEMBL2782503

SCHEMBL2782503

COc1cccc(C)c1CNC(N)=Nc1ncccc1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.49
ADORA2A P29274 4/20 0.39
SYK P43405 1/20 0.37
ADORA1 P30542 1/20 0.37
GFER P55789 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL2780840 0.96 PLAU (0.50) PLAUADORA2ASYKADORA1GFER
SCHEMBL2782713 0.92 PLAU (0.46) PLAUADORA2ASYKMAPK1ALDH1A1
SCHEMBL2780771 0.91 PLAU (0.45) PLAUADORA2ASYKADORA1MAPK1
SCHEMBL2782595 0.86 PLAU (0.49) PLAUKDM4ENPC1ALDH1A1GAA
SCHEMBL2783296 0.81 PLAU (0.46) PLAUADORA2ASYKADORA1
SCHEMBL2781212 0.80 PLAU (0.46) PLAUADORA2AKDM4ENPC1ALDH1A1
SCHEMBL2780340 0.79 ADRA2A (0.47) PLAUADORA2AMAPK1KDM4ELMNA
SCHEMBL2783939 0.79 PLAU (0.44) PLAUADORA2ASYKMAPK1LMNA
SCHEMBL2782771 0.78 PLAU (0.41) PLAUADORA2AADORA1GFERMAPK1
SCHEMBL2381362 0.78 ATP4A (0.45) ADORA2AADORA1GFERNPC1ALDH1A1

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 PLAU 3291/4885ADORA2A 32/4885SYK 3324/4885

“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.