SCHEMBL7125034

SCHEMBL7125034

Cc1ncc(-c2cccc(Nc3nccc4c(-c5ccc(F)cc5)cccc34)c2)n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.42
DYRK1A Q13627 4/20 0.42
GSK3B P49841 2/20 0.42
TTK P33981 2/20 0.41
FYN P06241 1/20 0.40
ABCG2 Q9UNQ0 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
HPGD P15428 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
CYP2C9 P11712 1/20 0.39
WNT1 P04628 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
ATP1A1 P05023 1/20 0.38
ATP1B1 P05026 1/20 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
SCHEMBL7119935 0.84 RIPK2 (0.41) RIPK2TTKFYN
SCHEMBL7124246 0.83 RIPK2 (0.43) RIPK2TTKABCG2KDM4EALDH1A1
SCHEMBL7160086 0.81 RIPK2 (0.41) RIPK2DYRK1AGSK3BTTKFYN
SCHEMBL7128079 0.79 KDR (0.52) DYRK1AGSK3BMEN1KMT2A
SCHEMBL7984420 0.78 DYRK1A (0.38) DYRK1AGSK3BTTKCYP1A2CYP3A4
SCHEMBL7981485 0.75 ABCG2 (0.41) ABCG2CYP1A2CYP3A4CYP2D6HPGD
SCHEMBL7127650 0.74 MAPT (0.46) RIPK2DYRK1AGSK3BTTKCYP1A2
SCHEMBL7120296 0.73 RIPK2 (0.41) RIPK2DYRK1AGSK3BABCG2CYP1A2
SCHEMBL7128067 0.73 ALDH1A1 (0.43) RIPK2DYRK1AGSK3BTTKCYP1A2
SCHEMBL7128686 0.73 RIPK2 (0.47) RIPK2ABCG2KDM4ETSHRLMNA

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 RIPK2 3457/4885DYRK1A 3357/4885GSK3B 2048/4885

“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.