SCHEMBL10240044

SCHEMBL10240044

C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccc6c(c5)OCCO6)nc4)cnn3c(N)c2C=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.37
HSP90AB1 P08238 6/20 0.37
PIK3CA P42336 2/20 0.36
KDR P35968 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MTOR P42345 3/20 0.33
RPTOR Q8N122 2/20 0.33
MLST8 Q9BVC4 2/20 0.33
OGA O60502 1/20 0.32
PLAT P00750 1/20 0.32
CHEK1 O14757 1/20 0.32
CHEK2 O96017 1/20 0.32
ITK Q08881 1/20 0.32
CCND1 P24385 1/20 0.32
CDK6 Q00534 1/20 0.32
DYRK1A Q13627 1/20 0.32
PIK3CD O00329 1/20 0.32

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
SCHEMBL10240040 0.92 HSP90AA1 (0.38) HSP90AA1HSP90AB1PIK3CAKDRNPC1
SCHEMBL10234918 0.89 HSP90AA1 (0.37) HSP90AA1HSP90AB1PIK3CAKDRNPC1
SCHEMBL10240045 0.87 PIK3CA (0.35) PIK3CAKDRNPC1RAB9ASMN1; SMN2
SCHEMBL10240026 0.87 RAB9A (0.37) PIK3CANPC1RAB9ASMN1; SMN2MTOR
SCHEMBL10240038 0.86 MTOR (0.34) PIK3CAKDRMTORRPTORMLST8
SCHEMBL10237862 0.85 CHEK1 (0.41) HSP90AA1HSP90AB1KDRCHEK1
SCHEMBL10240078 0.85 MTOR (0.43) PIK3CAKDRNPC1RAB9AMTOR
SCHEMBL7881551 0.85 CHEK1 (0.42) PIK3CAKDRMTORRPTORMLST8
SCHEMBL10240027 0.85 MTOR (0.35) PIK3CANPC1RAB9ASMN1; SMN2MTOR
SCHEMBL10240028 0.85 MTOR (0.35) PIK3CAKDRNPC1RAB9ASMN1; SMN2

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 HSP90AA1 617/4885HSP90AB1 554/4885PIK3CA 34/4885

“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.