SCHEMBL30456487

SCHEMBL30456487

Cc1ccn2nc(F)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE10A Q9Y233 2/20 0.39
TP53 P04637 1/20 0.38
DNMT1 P26358 1/20 0.37
MAPK14 Q16539 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
POLB P06746 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
AHR P35869 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
COMT P21964 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL7920632 0.80 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2HSD17B10PDE10A
SCHEMBL20605163 0.77 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2HSD17B10PDE10A
SCHEMBL9615525 0.77 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2HSD17B10PDE10A
SCHEMBL15774157 0.77 PIK3CG (0.47) KDM4EALDH1A1SMN1; SMN2PDE10ATP53
SCHEMBL25097481 0.77 KCNH2 (0.36) KDM4EALDH1A1SMN1; SMN2PDE10ANPC1
SCHEMBL10271751 0.74 PDE10A (0.40) KDM4EALDH1A1SMN1; SMN2PDE10ATP53
SCHEMBL10220101 0.74 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2HSD17B10PDE10A
SCHEMBL15938473 0.72 CYP11B2 (0.45) PDE10AMAPK14AHRCYP11B1CYP11B2
SCHEMBL19167338 0.72 PDE10A (0.60) SMN1; SMN2PDE10ATP53NPC1RAB9A
SCHEMBL7851412 0.72 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2HSD17B10PDE10A

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-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 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-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 KDM4E 1188/4885ALDH1A1 622/4885SMN1; SMN2 3044/4885

“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.