SCHEMBL7121296

SCHEMBL7121296

Cc1ncc(-c2cccc(NC(N)=S)c2)n1C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
KDM4E B2RXH2 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KMT2A Q03164 1/20 0.44
FGFR3 P22607 5/20 0.42
KDR P35968 5/20 0.42
FYN P06241 4/20 0.41
ALDH1A1 P00352 1/20 0.41
DYRK1A Q13627 5/20 0.41
GSK3B P49841 3/20 0.41
WNT1 P04628 1/20 0.41

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
SCHEMBL7984129 0.87 FGFR3 (0.42) FGFR3KDRFYNDYRK1AGSK3B
Hydrochloric Acid SCHEMBL7123999 0.86 FGFR3 (0.41) FGFR3KDRFYNDYRK1AGSK3B
SCHEMBL7125139 0.81 ALDH1A1 (0.57) KDM4ERXFP1KMT2AALDH1A1
SCHEMBL7128747 0.77 CYP1A2 (0.64) CYP1A2KDM4EKMT2AALDH1A1
SCHEMBL7980096 0.75 DYRK1A (0.51) FGFR3KDRFYNALDH1A1DYRK1A
SCHEMBL7980094 0.75 DYRK1A (0.51) FGFR3KDRFYNALDH1A1DYRK1A
SCHEMBL6759913 0.74 DYRK1A (0.54) KDM4EKMT2AALDH1A1DYRK1AGSK3B
SCHEMBL6759915 0.74 DYRK1A (0.54) KDM4EKMT2AALDH1A1DYRK1AGSK3B
SCHEMBL6754326 0.74 MAP4K4 (0.49) CYP1A2FYNDYRK1A
SCHEMBL6756716 0.74 FYN (0.54) FYNDYRK1AGSK3B

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 CYP1A2 25/4885KDM4E 2224/4885RXFP1 3734/4885

“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.