SCHEMBL627653

SCHEMBL627653

Nc1nccc2sncc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 6/20 0.41
NOS2 P35228 6/20 0.41
NOS1 P29475 3/20 0.41
F12 P00748 1/20 0.41
PLAU P00749 1/20 0.41
NCF1 P14598 1/20 0.41
BACE1 P56817 1/20 0.41
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AURKA O14965 2/20 0.35
KDR P35968 2/20 0.35
AURKB Q96GD4 2/20 0.35
TDO2 P48775 1/20 0.34
ROCK1 Q13464 2/20 0.34
TRPM5 Q9NZQ8 3/20 0.32
DYRK1A Q13627 2/20 0.32
DRD1 P21728 1/20 0.32
MAP4K4 O95819 2/20 0.31

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
SCHEMBL19153002 0.75 CYP2A6 (0.41) MAPTKDM4EALDH1A1HSD17B10KDR
SCHEMBL17204902 0.75 TRPM5 (0.38) MAPTTRPM5DRD1
SCHEMBL18238074 0.71 DRD1 (0.32) TRPM5DRD1
SCHEMBL17340999 0.71 DRD1 (0.34) TRPM5DRD1
SCHEMBL4009278 0.68 HTR6 (0.40) TRPM5DRD1
SCHEMBL761059 0.68 DYRK1A (0.48) NOS3NOS2NOS1F12PLAU
SCHEMBL6585704 0.67 NCF1 (0.41) NOS1NCF1ALDH1A1HSD17B10AURKA
SCHEMBL6740145 0.65 NOS3 (0.39) NOS3NOS2NOS1F12PLAU
SCHEMBL11645017 0.65 AXL (0.32) MAPTKDM4EALDH1A1HSD17B10TRPM5
SCHEMBL31585981 0.65 LMNA (0.37) NOS3NOS2NOS1MAPTKDM4E

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
WO-2012020080-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY II GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-16 WO disclosed
US-7566721-B2 Substituted thienol[2,3-d]pyrimidines as kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-07-28 US disclosed
US-20070032512-A1 6,6-Bicyclic ring substituted sulfur containing heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC., 2007-02-08 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-20070032512-A1 6,6-Bicyclic ring substituted sulfur containing heterobicyclic protein kinase inhibitors IGF1R, BRCA1, MAP2K6 NOS3 938/4885NOS2 1335/4885NOS1 981/4885

“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.