SCHEMBL20147738

SCHEMBL20147738

CC[C@H]1COCCN1c1cc(Cl)nc(C2C(C)C2(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 4/20 0.40
▸ PIK3CA P42336 3/20 0.40
▸ AURKA O14965 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ PIK3R1 P27986 2/20 0.38
▸ ATR Q13535 8/20 0.37
▸ PDCD1 Q15116 7/20 0.33
▸ CD274 Q9NZQ7 7/20 0.33
▸ CHEK1 O14757 6/20 0.33
▸ ATRIP Q8WXE1 5/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAP3K12 Q12852 1/20 0.32
▸ PIM1 P11309 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31

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
SCHEMBL16224518 0.79 MAP3K12 (0.33) MAP3K12
SCHEMBL1317475 0.78 AURKA (0.41) MTORPIK3CAAURKAPDPK1PIK3R1
SCHEMBL1319437 0.77 CYP1A2 (0.56) MTORPIK3CAAURKAPDPK1PIK3R1
SCHEMBL20147760 0.73 MAP3K12 (0.67) MAP3K12
SCHEMBL20147735 0.73 AURKA (0.40) MTORPIK3CAAURKAPDPK1PIK3R1
SCHEMBL17510255 0.72 MAP3K12 (0.56) MAP3K12
SCHEMBL22775348 0.71 AURKA (0.41) MTORPIK3CAAURKAPDPK1PIK3R1
SCHEMBL22775349 0.71 AURKA (0.41) MTORPIK3CAAURKAPDPK1PIK3R1
SCHEMBL21061931 0.70 ATR (0.41) MTORPIK3CAAURKAPDPK1PIK3R1
SCHEMBL21061930 0.70 ATR (0.41) MTORPIK3CAAURKAPDPK1PIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133219-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-05-17 — — 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-20180133219-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, HAX1 MTOR 3221/4885PIK3CA 3863/4885AURKA 2716/4885

“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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