Sugi Predict

Sugi Predict / Compounds / SCHEMBL2148206

SCHEMBL2148206

SCHEMBL2148206

COc1nnc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2nc4c(-c5ccc(-c6ccccc6)nc5)cnn4c(N)c2C2CC2)C3)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 7/20 0.56
▸ RPTOR Q8N122 7/20 0.56
▸ MLST8 Q9BVC4 7/20 0.56
▸ CHEK1 O14757 6/20 0.39
▸ CCNA2 P20248 5/20 0.39
▸ CDK2 P24941 5/20 0.39
▸ CCNA1 P78396 5/20 0.39
▸ RET P07949 6/20 0.34
▸ KIF5B P33176 6/20 0.34
▸ KDR P35968 6/20 0.34
▸ ETV6 P41212 6/20 0.34
▸ CCDC6 Q16204 6/20 0.34
▸ KCNH2 Q12809 3/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ NPM1 P06748 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ LYN P07948 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ FGR P09769 1/20 0.33

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
SCHEMBL14245447 1.00 MTOR (0.56) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL12461536 1.00 MTOR (0.56) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL14298948 0.93 MTOR (0.53) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL14245359 0.93 MTOR (0.53) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL14246290 0.93 MTOR (0.53) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL14245962 0.91 MTOR (0.59) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL2147444 0.91 MTOR (0.59) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL14298525 0.91 MTOR (0.59) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL17399359 0.91 MTOR (0.59) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL14245654 0.91 MTOR (0.58) MTORRPTORMLST8CHEK1CCNA2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 — — US claimed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 — — US claimed
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 — — US disclosed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 — — US disclosed
WO-2011090935-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-28 — — 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-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, RPS6KA5 MTOR 1/4885RPTOR 4/4885MLST8 35/4885

“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.