SCHEMBL30333331

SCHEMBL30333331

O=C(c1nc2cc(Cl)ccc2[nH]1)c1c[nH]c2c(Br)cccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 2/20 0.53
DYRK1A Q13627 3/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CCND3 P30281 1/20 0.37
CDK6 Q00534 1/20 0.37
CDK9 P50750 2/20 0.37
DYRK2 Q92630 2/20 0.37
DYRK1B Q9Y463 2/20 0.37
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
NPY1R P25929 1/20 0.36
NTSR1 P30989 1/20 0.36
NPY2R P49146 1/20 0.36
AR P10275 1/20 0.35

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
SCHEMBL30333809 0.85 PCSK9 (0.57) PCSK9DYRK1AKMT2AMEN1MAPT
SCHEMBL31222719 0.83 GPR84 (0.52) PCSK9F7F3KMT2AMEN1
SCHEMBL30333581 0.78 PCSK9 (0.60) PCSK9DYRK1AKMT2AMEN1DYRK1B
SCHEMBL31222717 0.69 PCSK9 (0.57) PCSK9KMT2AMEN1SMN1; SMN2CCND3
SCHEMBL11229272 0.68 MAPT (0.47) F7F3KMT2AMEN1MAPT
SCHEMBL523253 0.68 RHEB (0.54) F7F3KMT2AMEN1MAPT
SCHEMBL3762044 0.68 KDM4E (0.50) DYRK1ASMN1; SMN2CDK9DYRK2DYRK1B
SCHEMBL29414225 0.67 KMT2A (0.46) F7F3KMT2AMEN1MAPT
SCHEMBL3064168 0.67 KMT2A (0.46) F7F3KMT2AMEN1MAPT
SCHEMBL27417845 0.67 HRH4 (0.47) F7F3KMT2AMEN1MAPT

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 1709/4885DYRK1A 3164/4885F7 4878/4885

“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.