SCHEMBL3060875

SCHEMBL3060875

O=C1CCC(=O)N1c1c[nH]c2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
AXL P30530 1/20 0.47
GPR84 Q9NQS5 1/20 0.46
LRRK2 Q5S007 1/20 0.44
MAP2K1 Q02750 1/20 0.43
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
HASPIN Q8TF76 1/20 0.42
MET P08581 2/20 0.42
PIM1 P11309 1/20 0.42
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
CAMKK2 Q96RR4 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
NUDT1 P36639 1/20 0.40
PDPK1 O15530 1/20 0.40
TGFBR1 P36897 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
SCHEMBL27328127 0.75 KMT2A (0.41) KMT2AAXLGPR84LRRK2MAP2K1
SCHEMBL16720229 0.73 AXL (0.53) KMT2AAXLGPR84LRRK2MAP2K1
SCHEMBL30688235 0.73 SMN1; SMN2 (0.43) KMT2AGPR84PIM1DRD2HTR2C
SCHEMBL3044022 0.73 SMN1; SMN2 (0.43) KMT2AGPR84PIM1DRD2HTR2C
SCHEMBL4063061 0.73 CCNT1 (0.58) AXLGPR84CCNT1CDK9DRD2
SCHEMBL30713649 0.73 KMT2A (0.45) KMT2AAXLGPR84LRRK2MAP2K1
SCHEMBL20111997 0.72 HTR2A (0.51) AXLGPR84DRD2DRD4DRD3
SCHEMBL16719779 0.71 AXL (0.50) KMT2AAXLGPR84LRRK2MAP2K1
SCHEMBL8686905 0.71 MAP2K1 (0.63) KMT2AAXLGPR84MAP2K1PIM1
SCHEMBL15545739 0.70 AXL (0.49) KMT2AAXLGPR84LRRK2MAP2K1

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-8470849-B2 7-azaindole derivatives as selective 11-β-hydroxysteroid dehydrogenase type 1 inhibitors MERCK PATENT GMBH (DE) 2013-06-25 US disclosed
US-20100267761-A1 7-Azaindole Derivatives as Selective 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors MERCK PATENT GESELLSCHAFT 2010-10-21 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-20100267761-A1 7-Azaindole Derivatives as Selective 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors HSD11B1, HSD17B1, HSD11B2 KMT2A 2557/4885AXL 4854/4885GPR84 1214/4885

“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.