SCHEMBL7874679

SCHEMBL7874679

COc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c([C@H]5CC[C@H](C(=O)O)CC5)nc34)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 3/20 0.45
KMT2A Q03164 4/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
RXFP1 Q9HBX9 2/20 0.39
LMNA P02545 1/20 0.39
MTOR P42345 2/20 0.38
RPTOR Q8N122 2/20 0.38
MLST8 Q9BVC4 2/20 0.38
MCHR1 Q99705 1/20 0.38
KDR P35968 1/20 0.37
VCP P55072 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
STAT1 P42224 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DGAT1 O75907 1/20 0.36

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
SCHEMBL6889175 0.91 MTOR (0.44) NEK2KMT2AMAPTMEN1HPGD
SCHEMBL10277202 0.91 MTOR (0.44) NEK2KMT2AMAPTMEN1HPGD
SCHEMBL7882513 0.90 KMT2A (0.40) KMT2AMAPTMEN1HPGDNPC1
SCHEMBL10234240 0.89 CHEK1 (0.46) NEK2KMT2AMAPTMEN1HPGD
SCHEMBL10234304 0.87 NEK2 (0.40) NEK2MAPTMTORRPTORMLST8
SCHEMBL10277578 0.87 MTOR (0.36) MAPTNPC1RAB9AMTORRPTOR
SCHEMBL7878905 0.86 NEK2 (0.39) NEK2MTORRPTORMLST8KDR
SCHEMBL10234287 0.86 NEK2 (0.43) NEK2KMT2AMAPTMEN1NPC1
SCHEMBL10234977 0.85 MTOR (0.44) NEK2KMT2AMAPTMEN1HPGD
SCHEMBL7874651 0.84 CCNA2 (0.38) NEK2MAPTNPC1RAB9AMTOR

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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 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 (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 NEK2 1166/4885KMT2A 2825/4885MAPT 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.