SCHEMBL7122944

SCHEMBL7122944

Cc1ncc(-c2cccc(N=C(NO)c3cccc(-c4cccs4)c3F)c2)n1C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.35
WNT1 P04628 1/20 0.35
FYN P06241 5/20 0.35
MET P08581 1/20 0.34
GRK5 P34947 1/20 0.34
GSK3B P49841 3/20 0.31
IDO1 P14902 2/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PDGFRB P09619 1/20 0.31
KIT P10721 1/20 0.31
FLT3 P36888 1/20 0.31
MAPK1 P28482 1/20 0.31
CAMK2D Q13557 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL7121299 0.86 DYRK1A (0.35) DYRK1AWNT1FYNGSK3BIDO1
SCHEMBL7117412 0.83 DYRK1A (0.39) DYRK1AWNT1GSK3BIDO1MAPK1
SCHEMBL7122934 0.82 FYN (0.42) DYRK1AWNT1FYNMETGRK5
SCHEMBL7122931 0.82 FYN (0.42) DYRK1AWNT1FYNMETGRK5
SCHEMBL7120246 0.79 FYN (0.47) DYRK1AFYNGRK5GSK3BIDO1
SCHEMBL7121297 0.68 FYN (0.40) DYRK1AFYNGSK3BIDO1
SCHEMBL7121293 0.68 FYN (0.40) DYRK1AFYNGSK3BIDO1
Hydrochloric Acid SCHEMBL7122972 0.68 HTR3E (0.46) DYRK1AWNT1GSK3B
SCHEMBL7117407 0.66 DYRK1A (0.41) DYRK1AWNT1FYNGSK3B
SCHEMBL7117409 0.66 DYRK1A (0.41) DYRK1AWNT1FYNGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 WO 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 DYRK1A 3357/4885WNT1 1438/4885FYN 817/4885

“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.