SCHEMBL2779640

SCHEMBL2779640

COc1cccc(C)c1CNC(=N)Nc1cccc(Br)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
KMT2A Q03164 2/20 0.36
GRM5 P41594 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.34
MAP4K4 O95819 1/20 0.34
ROS1 P08922 1/20 0.34
PIM1 P11309 1/20 0.34
PHKG2 P15735 1/20 0.34
CDK2 P24941 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
CLK2 P49760 1/20 0.34
RPS6KA3 P51812 1/20 0.34
CDK5 Q00535 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
SCHEMBL2779634 0.93 RXFP1 (0.40) RXFP1CHRNB2CHRNA4KMT2AGRM5
SCHEMBL2780706 0.87 LMNA (0.39) RXFP1CHRNB2CHRNA4KMT2AGRM5
SCHEMBL2780782 0.87 MAPK1 (0.43) RXFP1CHRNB2CHRNA4KMT2ANPC1
SCHEMBL2779357 0.83 HPGD (0.46) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL2780888 0.83 GRM5 (0.37) RXFP1KMT2AGRM5NPC1RAB9A
SCHEMBL2782719 0.82 KMT2A (0.49) RXFP1KMT2AGRM5NPC1RAB9A
SCHEMBL2780338 0.79 KMT2A (0.48) RXFP1KMT2ANPC1RAB9AMAPT
Acetic Acid SCHEMBL2782085 0.79 GRM5 (0.38) RXFP1KMT2AGRM5NPC1RAB9A
SCHEMBL2782989 0.77 MAPK1 (0.38) RXFP1KMT2ANPC1RAB9AMAPT
SCHEMBL2782502 0.76 GFER (0.50) KMT2AGRM5NPC1RAB9AMAPT

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 RXFP1 2509/4885CHRNB2 225/4885CHRNA4 179/4885

“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.