SCHEMBL30333809

SCHEMBL30333809

O=C(c1nc2ccccc2[nH]1)c1c[nH]c2c(Br)cccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.57
CCND3 P30281 1/20 0.49
CDK6 Q00534 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PDE10A Q9Y233 2/20 0.46
CDK9 P50750 2/20 0.45
DYRK1A Q13627 1/20 0.45
DYRK2 Q92630 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
GPR84 Q9NQS5 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
PIM1 P11309 2/20 0.40
AURKA O14965 1/20 0.40
JAK2 O60674 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
LCK P06239 1/20 0.40

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
SCHEMBL30333331 0.85 PCSK9 (0.53) PCSK9CCND3CDK6NPC1RAB9A
SCHEMBL30333581 0.82 PCSK9 (0.60) PCSK9PDE10ADYRK1ADYRK1BMEN1
SCHEMBL31222717 0.82 PCSK9 (0.57) PCSK9CCND3CDK6NPC1RAB9A
SCHEMBL30333332 0.77 MAP2K1 (0.51) PCSK9CCND3CDK6NPC1RAB9A
SCHEMBL27654304 0.76 RAB9A (0.60) PCSK9CCND3CDK6NPC1RAB9A
SCHEMBL250171 0.73 CCND3 (0.70) CCND3CDK6NPC1RAB9ACDK9
SCHEMBL25668814 0.73 CCND3 (0.58) PCSK9CCND3CDK6NPC1RAB9A
SCHEMBL3762044 0.72 KDM4E (0.50) CDK9DYRK1ADYRK2DYRK1BHTT
Hydrochloric Acid SCHEMBL7000982 0.72 CCND3 (0.68) CCND3CDK6NPC1RAB9ACDK9
SCHEMBL31222719 0.71 GPR84 (0.52) PCSK9CCND3CDK6GPR84MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240417399-A1 ARYL HYDROCARBON RECEPTOR (AHR) MODULATORS AND THERAPEUTIC USES THEREOF GALILEO BIOSYSTEMS INC (US) 2024-12-19 US disclosed
WO-2023064486-A1 ARYL HYDROCARBON RECEPTOR (AHR) MODULATORS AND THERAPEUTIC USES THEREOF GALILEO BIOSYSTEMS, INC. (US) 2023-04-20 WO 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-20240417399-A1 ARYL HYDROCARBON RECEPTOR (AHR) MODULATORS AND THERAPEUTIC USES THEREOF AHR, ARNT, NR1H2 PCSK9 1709/4885CCND3 4004/4885CDK6 2833/4885

“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.