SCHEMBL3564331

SCHEMBL3564331

Cc1cc(C2C(C(N)=O)CCN2C(=O)OC(C)(C)C)nc(-n2ccnc2)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 10/20 0.41
NOS1 P29475 4/20 0.41
GPR119 Q8TDV5 3/20 0.39
PIK3CD O00329 1/20 0.36
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
JAK2 O60674 1/20 0.33
GRM5 P41594 1/20 0.32
USP30 Q70CQ3 1/20 0.32

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
SCHEMBL3564512 0.93 NOS2 (0.40) NOS2NOS1GPR119PIK3CDKDM4E
SCHEMBL3566417 0.89 NOS2 (0.42) NOS2NOS1GPR119PIK3CD
SCHEMBL3563497 0.89 NOS2 (0.41) NOS2NOS1GPR119PIK3CDKDM4E
SCHEMBL3568596 0.82 NOS2 (0.39) NOS2NOS1GPR119PIK3CDGRM5
SCHEMBL5229024 0.79 NOS2 (0.44) NOS2NOS1KDM4ETSHRMAPK1
SCHEMBL3572145 0.77 NR1H2 (0.43) NOS2NOS1GPR119KDM4ETSHR
SCHEMBL5203615 0.76 UCHL1 (0.38) GPR119JAK2GRM5USP30
SCHEMBL3558024 0.76 NOS2 (0.43) NOS2NOS1
SCHEMBL3558453 0.74 NOS2 (0.43) NOS2NOS1KDM4E
SCHEMBL3559652 0.72 NOS2 (0.42) NOS2NOS1KDM4ETSHRMAPK1

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-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. 2006-06-01 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-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 NOS2 2/4885NOS1 3/4885GPR119 838/4885

“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.