SCHEMBL451749

SCHEMBL451749

Nc1cnc2sccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.38
NTRK1 P04629 3/20 0.38
NTRK2 Q16620 3/20 0.38
CLK4 Q9HAZ1 3/20 0.38
LTK P29376 2/20 0.38
TYRO3 Q06418 2/20 0.38
CHEK1 O14757 2/20 0.38
AURKA O14965 2/20 0.38
DAPK3 O43293 2/20 0.38
JAK2 O60674 2/20 0.38
ABL1 P00519 2/20 0.38
CSF1R P07333 2/20 0.38
RET P07949 2/20 0.38
IGF1R P08069 2/20 0.38
PDGFRB P09619 2/20 0.38
PIM1 P11309 2/20 0.38
FGFR1 P11362 2/20 0.38
PRKACA P17612 2/20 0.38
KDR P35968 2/20 0.38
MAP2K2 P36507 2/20 0.38

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
SCHEMBL452490 0.75 ABCG2 (0.36) DYRK1ANTRK1NTRK2CLK4LTK
SCHEMBL12483324 0.75 CCR1 (0.48) ALDH1A1NOS1ABCG2CYP2A6KDM4E
SCHEMBL22400521 0.75 MEN1 (0.37) DYRK1ANTRK1NTRK2CLK4LTK
SCHEMBL10652292 0.75 MAP4K4 (0.36) DYRK1ANTRK1NTRK2CLK4LTK
SCHEMBL4486974 0.75 ABCG2 (0.39) DYRK1ANTRK1NTRK2CLK4LTK
SCHEMBL24565560 0.75 ABCG2 (0.34) DYRK1ANTRK1NTRK2CLK4LTK
SCHEMBL25054255 0.75 CYP2A6 (0.55) DYRK1ANTRK1NTRK2CLK4LTK
SCHEMBL21355721 0.73 KDM4E (0.45) PDGFRBABCG2ADORA2AKDM1AKDM4E
SCHEMBL4508078 0.72 PSMD14 (0.45) CHEK1LCKKDM4ESMN1; SMN2
SCHEMBL26199744 0.71 CYP2A6 (0.35) ABCG2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021063735-A1 NEW BICYCLIC PYRIDINE DERIVATIVES BASF SE (DE) 2021-04-08 WO disclosed
US-9126178-B2 Heat-expandable microspheres and a method of making heat-expandable microspheres and application thereof MATSUMOTO YUSHI-SEIYAKU CO., LTD. (JP) 2015-09-08 US disclosed
EP-2529830-A2 Heat-expandable microspheres and a method of making heat-expandable microspheres and application thereof MATSUMOTO YUSHI-SEIYAKU CO., LTD. (JP) 2012-12-05 EP disclosed
EP-2441814-A1 HEAT-EXPANDABLE MICROSPHERE, METHOD FOR PRODUCING SAME AND USE OF SAME Matsumoto Yushi-Seiyaku Co., Ltd. (JP) 2012-04-18 EP disclosed
US-20120064347-A1 HEAT-EXPANDABLE MICROSPHERES AND A METHOD OF MAKING HEAT-EXPANDABLE MICROSPHERES AND APPLICATION THEREOF MATSUMOTO YUSHI-SEIYAKU CO., LTD. (JP) 2012-03-15 US disclosed
US-20120065219-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-03-15 US disclosed
US-8076350-B2 3H-(4's)-1'-azaspiro[benzofuran-2,4']-tricyclo[3.3.1.13,7]decane; for therapy of memory disorder, cognitive disorder, neurodegeneration, and neurodevelopmental disorder; attention deficit disorder, attention deficit hyperactivity disorder (ADHD), Alzheimer's disease (AD), mild cognitive impairment ABBOTT LABORATORIES (US) 2011-12-13 US disclosed
CN-101568541-A Spirocyclic azaadamantane derivatives and methods of use ABBOTT LAB (US) 2009-10-28 CN disclosed
US-20080153860-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-26 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 (2 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-20120065219-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE NR3C2, REN, GNE DYRK1A 3066/4885NTRK1 1989/4885NTRK2 2816/4885
US-20080153860-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE NR3C2, REN, GNE DYRK1A 2871/4885NTRK1 2175/4885NTRK2 2778/4885

“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.