SCHEMBL7121980

SCHEMBL7121980

Cn1cncc1-c1cccc(Nc2nccc3ccccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
RIPK2 O43353 1/20 0.44
HPGDS O60760 1/20 0.43
HTR2C P28335 1/20 0.41
TTK P33981 3/20 0.41
QPCT Q16769 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
TNF P01375 2/20 0.38
EGFR P00533 1/20 0.38
GSK3B P49841 4/20 0.38
DYRK1A Q13627 4/20 0.38
WNT1 P04628 2/20 0.38
LDLR P01130 1/20 0.38
PCSK9 Q8NBP7 1/20 0.38
BRAF P15056 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
SCHEMBL7124221 0.74 IDO1 (0.48) IDO1HPGDSTTKGSK3BDYRK1A
SCHEMBL5489159 0.74 RAF1 (0.54) ABCG2BRAF
SCHEMBL7127463 0.74 IDO1 (0.43) IDO1RIPK2HPGDSHTR2CTTK
SCHEMBL20356686 0.73 EGFR (0.61) ABCB1ABCG2TNFEGFR
SCHEMBL31098967 0.73 ABCG2 (0.64) ABCB1ABCG2TNFEGFRDYRK1A
SCHEMBL7127641 0.72 AHR (0.58) TNFEGFR
SCHEMBL1921849 0.71 ABCG2 (0.53) ABCG2EGFRDYRK1A
SCHEMBL26789989 0.71 TNF (0.64) ABCB1ABCG2TNFEGFR
SCHEMBL4933191 0.71 TNF (0.64) ABCG2TNFEGFR
SCHEMBL7117333 0.71 ABL1 (0.54) IDO1TNFEGFR

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 IDO1 1301/4885RIPK2 3457/4885HPGDS 1229/4885

“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.