SCHEMBL7880324

SCHEMBL7880324

CC(C)C1=CCN(CC(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 9/20 0.36
CCNT1 O60563 8/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
SLC6A9 P48067 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL7882466 0.77 KDM4E (0.39) CDK9CCNT1KDM4EMAPTLMNA
SCHEMBL6127983 0.77 KDM4E (0.38) KDM4ELMNA
SCHEMBL13538555 0.75 KDM4E (0.32) KDM4E
SCHEMBL6124874 0.75 NAMPT (0.38) MAPT
SCHEMBL13936551 0.74 HTR6 (0.36)
SCHEMBL104852 0.74 QDPR (0.45) MAPTLMNA
SCHEMBL13538565 0.73 ENPP1 (0.33)
SCHEMBL13976079 0.72 ALOX15 (0.37) CDK9CCNT1
SCHEMBL22402472 0.72
SCHEMBL12030751 0.72 NAMPT (0.43)

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 CDK9 299/4885CCNT1 2200/4885KDM4E 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.