SCHEMBL17714345

SCHEMBL17714345

CC(Cn1nc(I)c2c(N)ncnc21)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 12/20 0.72
▸ BLK P51451 3/20 0.50
▸ LYN P07948 2/20 0.50
▸ PIK3CG P48736 2/20 0.47
▸ PIK3CD O00329 2/20 0.45
▸ RET P07949 3/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ PRKDC P78527 1/20 0.42
▸ SRC P12931 3/20 0.41
▸ CDC7 O00311 1/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ DYRK3 O43781 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ INSR P06213 1/20 0.41
▸ LCK P06239 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
SCHEMBL17962785 0.84 FYN (0.49) FYNBLKPIK3CGPIK3CDRET
SCHEMBL17725997 0.84 FYN (1.00) FYNBLKLYNPIK3CGPIK3CD
SCHEMBL20533626 0.81 ADORA2A (0.49) FYNBLKPIK3CGPIK3CDRET
SCHEMBL17726000 0.80 FYN (1.00) FYNBLKLYNPIK3CGPIK3CD
SCHEMBL19500708 0.79 SRC (0.56) FYNBLKLYNPIK3CGPIK3CD
SCHEMBL19500707 0.79 SRC (0.56) FYNBLKLYNPIK3CGPIK3CD
SCHEMBL17725994 0.79 FYN (0.85) FYNBLKLYNPIK3CGPIK3CD
SCHEMBL17726068 0.79 FYN (1.00) FYNBLKLYNPIK3CGPIK3CD
SCHEMBL18250072 0.77 PIK3CG (0.53) FYNBLKPIK3CGPIK3CDRET
SCHEMBL17726005 0.77 FYN (0.81) FYNBLKLYNPIK3CGPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186796-A1 COMPOUNDS AND USES THEREOF LEAD DISCOVERY SIENA S.R.L. (IT) 2018-07-05 — — US disclosed
US-20180186796-A1 COMPOUNDS AND USES THEREOF LEAD DISCOVERY SIENA S.R.L. (IT) 2018-07-05 — — US disclosed
EP-3212649-A2 COMPOUNDS AND USES THEREOF Lead Discovery Siena S.r.l. (IT) 2017-09-06 — — EP disclosed
WO-2016066755-A2 COMPOUNDS AND USES THEREOF LEAD DISCOVERY SIENA S.R.L. (IT) 2016-05-06 — — WO disclosed
WO-2016066755-A2 COMPOUNDS AND USES THEREOF LEAD DISCOVERY SIENA S.R.L. (IT) 2016-05-06 — — 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-20180186796-A1 COMPOUNDS AND USES THEREOF FYN, SRC, HCK FYN 1/4885BLK 64/4885LYN 12/4885

“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.

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