SCHEMBL12802451

SCHEMBL12802451

CC(C)(Cc1ccccc1C1CCN(C(=O)OC(C)(C)C)CC1)Nc1nc(C2c3ccccc3CN2C(F)F)nc(N2CCOCC2)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.37
MTOR P42345 4/20 0.37
MAPT P10636 2/20 0.36
CYP2C9 P11712 2/20 0.36
EPHX2 P34913 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NAMPT P43490 1/20 0.36
PIK3CD O00329 3/20 0.35
PIK3CB P42338 3/20 0.35
THRB P10828 1/20 0.35
LMNA P02545 1/20 0.35
PIK3R1 P27986 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
PIK3CG P48736 1/20 0.34
ATR Q13535 1/20 0.34
AURKB Q96GD4 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
SCHEMBL12821699 0.80 PIK3CB (0.55) PIK3CAPIK3CDPIK3CBPIK3R1PIK3CG
SCHEMBL15639787 0.76 PIK3CB (0.42) PIK3CAPIK3CDPIK3CBPIK3R1PIK3CG
SCHEMBL28465744 0.74 PIK3CB (0.42) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL30165730 0.70 LMNA (0.38) PIK3CAMTORMAPTCYP2C9EPHX2
Zandelisib SCHEMBL29366620 0.69 PIK3CB (0.56) PIK3CAMTORPIK3CDPIK3CBPIK3R1
Zandelisib SCHEMBL30089332 0.69 PIK3CB (0.56) PIK3CAMTORPIK3CDPIK3CBPIK3R1
Zandelisib SCHEMBL12936730 0.69 PIK3CB (0.56) PIK3CAMTORPIK3CDPIK3CBPIK3R1
Zandelisib SCHEMBL30165731 0.69 PIK3CB (0.56) PIK3CAMTORPIK3CDPIK3CBPIK3R1
SCHEMBL12802461 0.69 CTSL (0.42) PIK3CASMN1; SMN2PIK3CDPIK3CBLMNA
SCHEMBL12802138 0.66 PIK3CB (0.55) PIK3CAMTORPIK3CDPIK3CBPIK3R1

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
US-20150265625-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES PATHWAY THERAPEUTICS, INC. 2015-09-24 US disclosed
US-9056852-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases MEI PHARMA, INC. (US) 2015-06-16 US disclosed
US-20120252802-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES PATHWAY THERAPEUTICS INC. (US) 2012-10-04 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-20120252802-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES CCNI, CCNK, CCNA1 PIK3CA 302/4885MTOR 887/4885MAPT 3685/4885
US-20150265625-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES CCNI, CCNK, CCNA1 PIK3CA 302/4885MTOR 887/4885MAPT 3685/4885

“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.