SCHEMBL3563522

SCHEMBL3563522

c1cn(-c2nsc(C3CCCN3)n2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.35
CHRNA7 P36544 2/20 0.35
CHRNA4 P43681 2/20 0.35
CD38 P28907 4/20 0.34
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2D6 P10635 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
NOS1 P29475 2/20 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
SCHEMBL3571980 0.72 NOS2 (0.42) CHRNB2CHRNA7CHRNA4MEN1KMT2A
SCHEMBL3562054 0.68 NOS2 (0.41) CHRNB2CHRNA7CHRNA4CD38SMN1; SMN2
SCHEMBL20187315 0.67 CHRM2 (0.38) CHRNB2CHRNA7CHRNA4TAAR1
SCHEMBL3558775 0.67 NOTUM (0.44) CD38TSHRMEN1KMT2ANPSR1
SCHEMBL13037127 0.66 LMNA (0.42) CD38TSHRMEN1KMT2ANPSR1
SCHEMBL3564939 0.65 GPR119 (0.43) TSHRMEN1KMT2ALMNANOS1
SCHEMBL3563583 0.62 PORCN (0.42) CD38SMN1; SMN2KMT2ANOS2
SCHEMBL3560162 0.62 PORCN (0.42) CD38SMN1; SMN2KMT2ANOS2
SCHEMBL3560159 0.62 PORCN (0.42) CD38SMN1; SMN2KMT2ANOS2
SCHEMBL9025866 0.61 LMNA (0.67) CD38TSHRSMN1; SMN2MEN1KMT2A

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 6 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-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
EP-1817030-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS Kalypsys, Inc. (US) 2007-08-15 EP disclosed
WO-2006060424-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2006-06-08 WO 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 CHRNB2 397/4885CHRNA7 140/4885CHRNA4 69/4885

“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.