SCHEMBL3219558

SCHEMBL3219558

CC1COCCN1c1nc(Cl)nc2c1CCNC2=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 12/20 0.43
AKT1 P31749 1/20 0.40
ATR Q13535 1/20 0.40
PIK3CA P42336 9/20 0.38
PIK3R1 P27986 8/20 0.38
RPTOR Q8N122 3/20 0.38
MLST8 Q9BVC4 3/20 0.38
PIK3CD O00329 2/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CG P48736 2/20 0.38
RICTOR Q6R327 2/20 0.38
PIK3C3 Q8NEB9 2/20 0.38
MAPKAP1 Q9BPZ7 2/20 0.38

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
SCHEMBL2625360 1.00 MTOR (0.43) MTORAKT1ATRPIK3CAPIK3R1
SCHEMBL2625358 0.81 MTOR (0.41) MTORPIK3CAPIK3R1RPTORMLST8
SCHEMBL2625357 0.79 HTR2C (0.38) PIK3CAPIK3R1PIK3CB
SCHEMBL2711233 0.78 MTOR (0.43) MTORATRPIK3CAPIK3R1RPTOR
SCHEMBL2711236 0.78 MTOR (0.43) MTORATRPIK3CAPIK3R1RPTOR
SCHEMBL23493533 0.77 MTOR (0.42) MTORATRPIK3CAPIK3R1RPTOR
SCHEMBL2625446 0.77 MTOR (0.42) MTORATRPIK3CAPIK3R1RPTOR
Hydrochloric Acid SCHEMBL444474 0.76 MTOR (0.41) MTORATRPIK3CAPIK3R1RPTOR
Hydrochloric Acid SCHEMBL444475 0.76 MTOR (0.41) MTORATRPIK3CAPIK3R1RPTOR
SCHEMBL2625391 0.75 MTOR (0.46) MTORATRPIK3CAPIK3R1RPTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318377-B1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH INC (US) 2013-08-21 EP disclosed
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2012-06-28 US disclosed
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-03-18 US disclosed
WO-2010014939-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-02-04 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 (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-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK MTOR 1/4885AKT1 181/4885ATR 419/4885
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK MTOR 1/4885AKT1 181/4885ATR 419/4885

“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.