SCHEMBL30333332

SCHEMBL30333332

O=C(c1nc2ccccc2[nH]1)c1c[nH]c2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.51
CCND3 P30281 1/20 0.50
CDK6 Q00534 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PDE10A Q9Y233 11/20 0.48
KDR P35968 1/20 0.47
PCSK9 Q8NBP7 1/20 0.47
FGFR1 P11362 1/20 0.46
FLT1 P17948 1/20 0.46
ADORA2A P29274 1/20 0.44
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
GPR84 Q9NQS5 1/20 0.43

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
SCHEMBL27708260 0.79 MAP2K1 (0.71) MAP2K1KDRADORA2ACCNE1CDK2
SCHEMBL30333809 0.77 PCSK9 (0.57) MAP2K1CCND3CDK6NPC1RAB9A
SCHEMBL7978672 0.76 KDM4E (0.55) MAP2K1NPC1RAB9AKDRADORA2A
SCHEMBL878719 0.76 MAP2K1 (0.61) MAP2K1KDRADORA2ACCNE1CDK2
SCHEMBL7981073 0.74 MAP2K1 (0.60) MAP2K1NPC1RAB9AKDRADORA2A
SCHEMBL27654304 0.74 RAB9A (0.60) MAP2K1CCND3CDK6NPC1RAB9A
SCHEMBL250171 0.74 CCND3 (0.70) MAP2K1CCND3CDK6NPC1RAB9A
SCHEMBL31222717 0.74 PCSK9 (0.57) CCND3CDK6NPC1RAB9APCSK9
SCHEMBL985214 0.73 MAP2K1 (0.71) MAP2K1ADORA2ACCNE1CDK2GPR84
SCHEMBL29468201 0.73 MAP2K1 (0.71) MAP2K1ADORA2ACCNE1CDK2GPR84

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 MAP2K1 3663/4885CCND3 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.