SCHEMBL7127628

SCHEMBL7127628

Cc1ccc(Nc2ncnc3c2CCc2ccccc2-3)cc1-c1cncnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.43
CYP1A2 P05177 5/20 0.40
CYP3A4 P08684 5/20 0.40
CYP2D6 P10635 5/20 0.40
CYP2C19 P33261 4/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
TRPV1 Q8NER1 1/20 0.35
PLA2G7 Q13093 1/20 0.34
EGFR P00533 1/20 0.34
KDR P35968 1/20 0.34
F9 P00740 3/20 0.34
MAP4K4 O95819 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
F10 P00742 1/20 0.34
F11 P03951 1/20 0.34
F7 P08709 1/20 0.34

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
SCHEMBL7126866 0.84 EGFR (0.45) DYRK1ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7126117 0.74 RIPK2 (0.41) DYRK1ACYP1A2CYP3A4CYP2D6EGFR
SCHEMBL7115935 0.71 DYRK1A (0.40) DYRK1ACYP1A2CYP2D6ALDH1A1MAPT
SCHEMBL7122204 0.71 DYRK1A (0.40) DYRK1ACYP3A4EGFRKDRMKNK1
SCHEMBL7125546 0.70 BRD4 (0.45) DYRK1ATSHRALDH1A1MAPTHPGD
SCHEMBL7118837 0.70 DYRK1A (0.38) DYRK1AEGFRMKNK1
SCHEMBL7115986 0.70 DYRK1A (0.38) DYRK1ACYP1A2CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL7123978 0.70 DYRK1A (0.40) DYRK1ACYP3A4EGFRKDRMKNK1
SCHEMBL7122000 0.70 HTR2C (0.47)
Hydrochloric Acid SCHEMBL7117269 0.70 DYRK1A (0.40) DYRK1ACYP3A4EGFRKDRMKNK1

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 1 patent. 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

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 3357/4885CYP1A2 25/4885CYP3A4 182/4885

“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.