SCHEMBL24782813

SCHEMBL24782813

CCc1ccn2cc(C(C)C)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 5/20 0.47
PKM P14618 4/20 0.47
KLF5 Q13887 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
FFAR1 O14842 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
MCHR1 Q99705 1/20 0.31
TLR9 Q9NR96 1/20 0.31
HTR6 P50406 1/20 0.30
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL24818468 0.86 KDM4E (0.35) KDM4ENPC1RAB9APKMKLF5
SCHEMBL13086443 0.78 SMN1; SMN2 (0.36) KDM4ENPC1RAB9APKMPOLB
SCHEMBL10022340 0.78 SMN1; SMN2 (0.54) KDM4ENPC1RAB9APKMMAPT
SCHEMBL12729868 0.78 KDM4E (0.50) KDM4ENPC1RAB9APKMKLF5
SCHEMBL15218209 0.77 TP53 (0.35) KDM4ENPC1RAB9APKMMAPT
SCHEMBL19388021 0.77 MCHR1 (0.40) KDM4ENPC1RAB9AMAPTPOLB
SCHEMBL25023356 0.74 NPC1 (0.34) KDM4ENPC1RAB9APKMPOLB
SCHEMBL12269176 0.74 SCN10A (0.40) KDM4ENPC1RAB9APKMPOLB
SCHEMBL10022402 0.73 PDE10A (0.43) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL25802539 0.72 GPR84 (0.46) KDM4ENPC1RAB9AMAPTPOLB

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-20220389008-A1 4-QUINOLINONE ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2022-12-08 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-20220389008-A1 4-QUINOLINONE ANTIBACTERIAL COMPOUNDS NQO2, NDUFS3, QARS1 KDM4E 1533/4885NPC1 1916/4885RAB9A 2230/4885

“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.