SCHEMBL3562250

SCHEMBL3562250

Cc1cc(CN=C(c2ccccc2)c2ccccc2)nc(-n2ccnc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.46
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
KMT2A Q03164 1/20 0.46
NOS2 P35228 3/20 0.41
TSHR P16473 10/20 0.41
MAPK1 P28482 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 3/20 0.39
GPR55 Q9Y2T6 1/20 0.39

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
SCHEMBL3562852 0.73 NOS2 (0.46) NPSR1LMNATDP1MEN1USP2
SCHEMBL3559869 0.72 TSHR (0.43) NPSR1LMNATDP1MEN1USP2
Hydrochloric Acid SCHEMBL3561787 0.72 NOS2 (0.45) NPSR1LMNATDP1MEN1USP2
SCHEMBL13037188 0.72 LMNA (0.50) NPSR1LMNATDP1MEN1USP2
SCHEMBL15289603 0.71 LMNA (0.60) NPSR1LMNATDP1MEN1USP2
SCHEMBL5201542 0.68 FFAR1 (0.39) LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL25189627 0.66 CD38 (0.46) NPSR1LMNATDP1MEN1USP2
SCHEMBL30261776 0.66 CD38 (0.46) NPSR1LMNATDP1MEN1USP2
SCHEMBL5191438 0.66 LMNA (0.45) NPSR1LMNATDP1MEN1USP2
SCHEMBL27563229 0.65 TSHR (0.44) NPSR1LMNATDP1MEN1USP2

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 7 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
CN-101123962-A Inducible nitric oxide synthase dimerization inhibitors KALYPSYS INC (US) 2008-02-13 CN 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 NPSR1 125/4885LMNA 4743/4885TDP1 3765/4885

“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.