SCHEMBL29660229

SCHEMBL29660229

NC(=O)c1ccn2c(n1)nc1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 2/20 0.39
KDM4E B2RXH2 2/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
ADORA2A P29274 5/20 0.39
ADORA1 P30542 5/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAD51 Q06609 1/20 0.37
MAP2K3 P46734 1/20 0.37
CSNK1A1 P48729 1/20 0.36
CLK2 P49760 1/20 0.36
LIMK1 P53667 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 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
SCHEMBL18548670 0.86 MGAM (0.46) ALDH1A1NPSR1POLBKDM4EPTPN2
SCHEMBL29660196 0.86 MGAM (0.46) ALDH1A1NPSR1POLBKDM4EPTPN2
SCHEMBL18561326 0.81 ALDH1A1 (0.36) ALDH1A1NPSR1POLBKDM4EPTPN2
SCHEMBL29660200 0.77 CYP1A2 (0.51) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL18548710 0.77 CYP1A2 (0.51) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL22633448 0.75 RAD51 (0.45) ALDH1A1NPSR1KDM4EPTPN2PTPN1
SCHEMBL2163722 0.75 PTPN1 (0.44) ALDH1A1NPSR1POLBKDM4EPTPN2
SCHEMBL29660167 0.74 ADORA2A (0.44) ALDH1A1POLBKDM4EADORA2AADORA1
SCHEMBL18548681 0.74 ADORA2A (0.44) ALDH1A1POLBKDM4EADORA2AADORA1
SCHEMBL18548648 0.73 ADORA2A (0.62) ALDH1A1KDM4EADORA2AADORA1MEN1

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-11344637-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2022-05-31 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-11344637-B2 Probes for imaging huntingtin protein HTT, HYPK, HSPBP1 ALDH1A1 3976/4885NPSR1 885/4885POLB 3501/4885

“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.