SCHEMBL1864080

SCHEMBL1864080

COCCC(=O)N[C@H](C)Cc1c[c]cc(-c2cnn(C)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.41
▸ CTSV O60911 2/20 0.39
▸ CTSL P07711 2/20 0.39
▸ CTSS P25774 2/20 0.39
▸ CTSB P07858 1/20 0.39
▸ GSK3B P49841 4/20 0.36
▸ DYRK1A Q13627 4/20 0.36
▸ RET P07949 2/20 0.36
▸ LOXL2 Q9Y4K0 2/20 0.36
▸ WNT1 P04628 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ FGFR2 P21802 1/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ FGFR3 P22607 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ PHGDH O43175 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ EP300 Q09472 2/20 0.35
▸ CLK1 P49759 1/20 0.34
▸ MAPK8 P45983 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
SCHEMBL1570255 1.00 ACACB (0.41) ACACBCTSVCTSLCTSSCTSB
SCHEMBL1864081 0.80 KDM4E (0.38) CTSVCTSLCTSSCTSBGSK3B
SCHEMBL1570259 0.76 ACACB (0.41) ACACB
SCHEMBL1570411 0.71 PIK3CD (0.44) GSK3BDYRK1ARETLOXL2WNT1
SCHEMBL3321969 0.70 LOXL2 (0.36) CTSVCTSLCTSSCTSBLOXL2
SCHEMBL3322413 0.70 FGFR1 (0.39) ACACBGSK3BDYRK1ARETLOXL2
SCHEMBL3321393 0.70 FGFR1 (0.39) ACACBGSK3BDYRK1ARETLOXL2
SCHEMBL3323284 0.69 GSK3B (0.47) GSK3BDYRK1ARETWNT1
SCHEMBL1571575 0.69 GSK3B (0.47) GSK3BDYRK1ARETWNT1
SCHEMBL1571565 0.68 MET (0.41) GSK3BDYRK1ARETLOXL2WNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 — — WO disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 — — US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — 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 (2 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 ACACB 620/4885CTSV 3423/4885CTSL 3967/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 ACACB 307/4885CTSV 2851/4885CTSL 3711/4885

“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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