SCHEMBL13020092

SCHEMBL13020092

Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2[C@@H]1CCOC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 14/20 0.74
▸ ABL1 P00519 12/20 0.74
▸ SRC P12931 12/20 0.74
▸ EGFR P00533 11/20 0.74
▸ HCK P08631 11/20 0.74
▸ PIK3CD O00329 11/20 0.74
▸ PIK3CA P42336 11/20 0.74
▸ PIK3CB P42338 11/20 0.74
▸ PIK3CG P48736 11/20 0.74
▸ PRKDC P78527 11/20 0.74
▸ MTOR P42345 10/20 0.74
▸ EPHB4 P54760 10/20 0.74
▸ PI4KB Q9UBF8 8/20 0.74
▸ RET P07949 5/20 0.64
▸ LCK P06239 2/20 0.55
▸ LYN P07948 2/20 0.55
▸ BTK Q06187 2/20 0.55
▸ DAPK3 O43293 1/20 0.55
▸ RIPK2 O43353 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55

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
SCHEMBL13020103 1.00 KDR (0.74) KDRABL1SRCEGFRHCK
SCHEMBL1319895 0.91 KDR (0.71) KDRABL1SRCEGFRHCK
SCHEMBL1319000 0.91 KDR (0.71) KDRABL1SRCEGFRHCK
SCHEMBL1318998 0.91 KDR (0.71) KDRABL1SRCEGFRHCK
SCHEMBL13019691 0.85 PIK3CD (0.72) KDRABL1SRCEGFRHCK
SCHEMBL13019694 0.85 PIK3CD (0.72) KDRABL1SRCEGFRHCK
SCHEMBL1320199 0.84 KDR (0.63) KDRABL1SRCEGFRHCK
SCHEMBL1320201 0.84 KDR (0.63) KDRABL1SRCEGFRHCK
SCHEMBL1321276 0.84 KDR (0.63) KDRABL1SRCEGFRHCK
SCHEMBL24096496 0.84 PIK3CD (0.61) KDRABL1SRCEGFRHCK

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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 — — US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 — — 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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B KDR 4598/4885ABL1 1725/4885SRC 1332/4885

“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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