SCHEMBL2632644

SCHEMBL2632644

Cc1nc2c(c(N3CCOC[C@@H]3C)n1)CCn1nc(C#N)cc1-2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 10/20 0.41
PIK3R1 P27986 9/20 0.39
PIK3CA P42336 9/20 0.39
RICTOR Q6R327 2/20 0.39
RPTOR Q8N122 2/20 0.39
MAPKAP1 Q9BPZ7 2/20 0.39
MLST8 Q9BVC4 2/20 0.39
LRRK2 Q5S007 1/20 0.38
ATR Q13535 2/20 0.37
ATRIP Q8WXE1 2/20 0.37
CHEK1 O14757 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL2625399 0.89 MTOR (0.41) MTORPIK3R1PIK3CARICTORRPTOR
SCHEMBL2625398 0.76 MTOR (0.62) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL2632645 0.75 MTOR (0.61) MTORPIK3CARPTORMLST8
SCHEMBL7943111 0.74 PIK3CA (0.44) MTORPIK3R1PIK3CARICTORRPTOR
SCHEMBL10221494 0.73 MTOR (0.39) MTORPIK3R1PIK3CARICTORRPTOR
SCHEMBL2632646 0.72 MTOR (0.44) MTORPIK3CARPTORMLST8
SCHEMBL2625402 0.72 MTOR (0.39) MTORPIK3R1PIK3CARICTORRPTOR
SCHEMBL2632857 0.71 MTOR (0.40) MTORPIK3R1PIK3CARICTORRPTOR
SCHEMBL2625403 0.69 PIK3R1 (0.44) MTORPIK3R1PIK3CAATR
SCHEMBL30531819 0.67 MTOR (0.41) MTORLRRK2ATRATRIPCHEK1

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-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-03-18 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-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK MTOR 1/4885PIK3R1 151/4885PIK3CA 4/4885

“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.