SCHEMBL10240026

SCHEMBL10240026

C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccc(F)cc5)nc4)cnn3c(N)c2C=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.37
NPC1 O15118 7/20 0.37
KDM4E B2RXH2 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 9/20 0.37
MEN1 O00255 8/20 0.37
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
MTOR P42345 6/20 0.36
RPTOR Q8N122 2/20 0.36
MLST8 Q9BVC4 2/20 0.36
MAPT P10636 2/20 0.36
TYRO3 Q06418 1/20 0.35
CASP3 P42574 1/20 0.35
BLM P54132 1/20 0.35
NCOA1 Q15788 1/20 0.35

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
SCHEMBL10240078 0.91 MTOR (0.43) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL10240027 0.91 MTOR (0.35) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL10240089 0.89 MTOR (0.36) SMN1; SMN2MTORRPTORMLST8PIK3CA
SCHEMBL7881551 0.89 CHEK1 (0.42) MTORRPTORMLST8TYRO3PIK3CA
SCHEMBL10234815 0.89 CHEK1 (0.44) RAB9ANPC1KDM4ECYP1A2CYP3A4
SCHEMBL10240025 0.89 CHEK1 (0.41) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL10240086 0.88 NPC1 (0.37) RAB9ANPC1MTORRPTORMLST8
SCHEMBL10234867 0.88 RAB9A (0.38) RAB9ANPC1KDM4ECYP1A2CYP3A4
SCHEMBL10240075 0.88 MTOR (0.35) MTORRPTORMLST8PIK3CAPIK3CD
SCHEMBL10240148 0.87 MTOR (0.33) MTORRPTORMLST8PIK3CAPIK3CD

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-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

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 RAB9A 720/4885NPC1 348/4885KDM4E 1448/4885

“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.