SCHEMBL16812366

SCHEMBL16812366

N#Cc1cccc(-n2cccc(N)c2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.47
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
ALOX5 P09917 1/20 0.42
NOX4 Q9NPH5 1/20 0.41
FADS1 O60427 2/20 0.39
XDH P47989 1/20 0.39
KCNH2 Q12809 1/20 0.38
NOTUM Q6P988 2/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
BACE1 P56817 1/20 0.38
GRM5 P41594 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL16812371 0.83 PKM (0.44)
SCHEMBL16812361 0.76 POLB (0.47) ALOX5FADS1
SCHEMBL16019389 0.76 NSD2 (0.42) NSD2DRD2DRD3ALOX5NOX4
SCHEMBL15803829 0.75 SMN1; SMN2 (0.50)
SCHEMBL7230982 0.74 NOTUM (0.51) NSD2DRD2DRD3ALOX5XDH
SCHEMBL1418950 0.74 ATM (0.57) NSD2DRD2DRD3ALOX5
SCHEMBL16705239 0.72 NSD2 (0.64) NSD2DRD2DRD3ALOX5FADS1
SCHEMBL16863029 0.71 HSPA1A (0.63) NSD2DRD2DRD3ALOX5GRM5
SCHEMBL29510675 0.68 MGLL (0.67) NSD2DRD2DRD3ALOX5
SCHEMBL14380243 0.68 MGLL (0.67) NSD2DRD2DRD3ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273237-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-30 US disclosed
US-20160304524-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2016-10-20 US disclosed
WO-2015089143-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-18 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 (2 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-20160304524-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA RESPONSES TYK2, IFNAR1, JAK3 NSD2 1869/4885DRD2 1579/4885DRD3 1130/4885
US-10273237-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses TYK2, IFNG, IFNAR1 NSD2 1847/4885DRD2 1628/4885DRD3 1160/4885

“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.