SCHEMBL8329440

SCHEMBL8329440

Cc1cc(CC(C)C)nc(-n2c(C)ccc2C)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 9/20 0.53
NOS1 P29475 6/20 0.53
NOS3 P29474 4/20 0.53
ESR1 P03372 1/20 0.34
KDM4E B2RXH2 4/20 0.33
TLR7 Q9NYK1 1/20 0.32
HSD17B10 Q99714 4/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 2/20 0.31
MAPK1 P28482 2/20 0.31
USP2 O75604 1/20 0.31
IKBKB O14920 1/20 0.30

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
SCHEMBL13040592 0.89 NOS2 (0.54) NOS2NOS1NOS3KDM4EHSD17B10
SCHEMBL13040593 0.87 NOS2 (0.55) NOS2NOS1NOS3
SCHEMBL13040603 0.87 NOS2 (0.39) NOS2NOS1NOS3
SCHEMBL13020995 0.86 NOS2 (0.44) NOS2NOS1NOS3
SCHEMBL13040598 0.84 NOS2 (0.37) NOS2NOS1NOS3
SCHEMBL8329387 0.84 NOS2 (0.55) NOS2NOS1NOS3ESR1
SCHEMBL13040649 0.82 NOS2 (0.59) NOS2NOS1NOS3
SCHEMBL13040646 0.82 NOS2 (0.43) NOS2NOS1NOS3
SCHEMBL8326929 0.81 NOS2 (0.48) NOS2NOS1NOS3KDM4EHPGD
SCHEMBL13040633 0.80 NOS2 (0.44) NOS2NOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100278751-A1 RADIOLABELED 2-AMINO-4-ALKYL-6-(HALOALKYL)PYRIDINE COMPOUNDS AND THEIR USE IN DIAGNOSTIC IMAGING WASHINGTON UNIVERSITY (US) 2010-11-04 US disclosed
US-20100278751-A1 RADIOLABELED 2-AMINO-4-ALKYL-6-(HALOALKYL)PYRIDINE COMPOUNDS AND THEIR USE IN DIAGNOSTIC IMAGING WASHINGTON UNIVERSITY (US) 2010-11-04 US disclosed
US-5972975-A Substituted 2-aminopyridines as inhibitors of nitric oxide synthase MERCK & CO., INC. (US) 1999-10-26 US disclosed
WO-1996018616-A1 SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-06-20 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-20100278751-A1 RADIOLABELED 2-AMINO-4-ALKYL-6-(HALOALKYL)PYRIDINE COMPOUNDS AND THEIR USE IN DIAGNOSTIC IMAGING NOS2, NOS3, NOS1 NOS2 1/4885NOS1 3/4885NOS3 2/4885

“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.