SCHEMBL10240078

SCHEMBL10240078

COc1ccc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.43
PIK3CA P42336 5/20 0.43
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 4/20 0.37
HPGD P15428 4/20 0.37
MEN1 O00255 3/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
RXFP1 Q9HBX9 1/20 0.36
RPTOR Q8N122 2/20 0.35
MLST8 Q9BVC4 2/20 0.35
MCHR1 Q99705 1/20 0.35
NEK2 P51955 1/20 0.35
KDR P35968 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CG P48736 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TSHR P16473 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
SCHEMBL10240026 0.91 RAB9A (0.37) MTORPIK3CAMAPTKMT2AHPGD
SCHEMBL10240027 0.89 MTOR (0.35) MTORPIK3CAHPGDNPC1RAB9A
SCHEMBL10234977 0.89 MTOR (0.44) MTORPIK3CAMAPTLMNAKMT2A
SCHEMBL10240091 0.89 KDR (0.36) MTORPIK3CAMAPTRPTORMLST8
SCHEMBL10240089 0.88 MTOR (0.36) MTORPIK3CARPTORMLST8MCHR1
SCHEMBL7881551 0.88 CHEK1 (0.42) MTORPIK3CARPTORMLST8KDR
SCHEMBL10280308 0.87 MTOR (0.43) MTORPIK3CAMAPTLMNAKMT2A
SCHEMBL10240025 0.87 CHEK1 (0.41) MTORPIK3CAKMT2AMEN1NPC1
SCHEMBL10240086 0.87 NPC1 (0.37) MTORPIK3CANPC1RAB9ARPTOR
SCHEMBL10240075 0.86 MTOR (0.35) MTORPIK3CARPTORMLST8KDR

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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR MTOR 1/4885PIK3CA 34/4885MAPT 2597/4885

“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.