SCHEMBL1317475

SCHEMBL1317475

CC[C@@H]1COCCN1c1cc(Cl)nc(NC)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ RAF1 P04049 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ MTOR P42345 5/20 0.39
▸ PIK3CA P42336 3/20 0.39
▸ ATR Q13535 3/20 0.38
▸ PIK3R1 P27986 3/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CHEK1 O14757 2/20 0.33
▸ PDCD1 Q15116 2/20 0.33
▸ CD274 Q9NZQ7 2/20 0.33
▸ ATRIP Q8WXE1 1/20 0.33
▸ MAP4K1 Q92918 1/20 0.33
▸ HTR3A P46098 1/20 0.33

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
SCHEMBL1318065 0.83 PDCD1 (0.46) PIK3CAATRCHEK1PDCD1CD274
SCHEMBL1320233 0.82 MAP4K1 (0.38) RAF1BRAFMAPTMAP4K1
SCHEMBL1319437 0.82 CYP1A2 (0.56) AURKAPDPK1MTORPIK3CAATR
SCHEMBL1317816 0.80 IDH1 (0.46) AURKAPDPK1RAF1BRAFKMT2A
SCHEMBL20147738 0.78 MTOR (0.40) AURKAPDPK1MTORPIK3CAATR
SCHEMBL20147735 0.77 AURKA (0.40) AURKAPDPK1MTORPIK3CAATR
SCHEMBL14804579 0.76 CYP1A2 (0.60) RAF1BRAFKMT2ACYP1A2CYP2D6
SCHEMBL1319290 0.74 PDPK1 (0.42) AURKAPDPK1MTORPIK3CAATR
SCHEMBL21061931 0.74 ATR (0.41) AURKAPDPK1MTORPIK3CAATR
SCHEMBL21061930 0.74 ATR (0.41) AURKAPDPK1MTORPIK3CAATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 — — EP disclosed
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 — — EP disclosed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 — — US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 — — US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 — — US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 — — US disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 — — 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-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 AURKA 298/4885PDPK1 12/4885RAF1 143/4885

“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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