SCHEMBL4499130

SCHEMBL4499130

CC(c1ccccc1)n1cnc2nccnc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MET P08581 7/20 0.43
ADORA2A P29274 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.38
P2RX7 Q99572 1/20 0.37
BRD4 O60885 1/20 0.36
CYP17A1 P05093 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
SCHEMBL30960769 0.77 MET (0.47) MEN1HPGDKMT2AHSD17B10MET
SCHEMBL3865471 0.73 MET (0.43) MEN1HPGDKMT2AHSD17B10MET
SCHEMBL3870912 0.72 MET (0.43) MEN1HPGDKMT2AHSD17B10MET
SCHEMBL3864918 0.72 MET (0.43) MEN1HPGDKMT2AHSD17B10MET
SCHEMBL28496119 0.70 GPBAR1 (0.44) MEN1HPGDKMT2AHSD17B10MET
SCHEMBL976184 0.70 MEN1 (0.41) MEN1HPGDKMT2AHSD17B10ALDH1A1
SCHEMBL976183 0.70 MEN1 (0.41) MEN1HPGDKMT2AHSD17B10ALDH1A1
SCHEMBL15540388 0.69 MEN1 (1.00) MEN1HPGDKMT2AHSD17B10ALDH1A1
SCHEMBL3304570 0.69 MEN1 (1.00) MEN1HPGDKMT2AHSD17B10ALDH1A1
SCHEMBL15539513 0.69 MEN1 (1.00) MEN1HPGDKMT2AHSD17B10ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US claimed

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-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 MEN1 3172/4885HPGD 1483/4885KMT2A 703/4885

“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.