SCHEMBL1440249

SCHEMBL1440249

COc1ccc(CN2C(=O)N[C@@H](C(C)C)C2=O)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
MAPT P10636 3/20 0.50
HSD17B10 Q99714 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
APLNR P35414 1/20 0.44
TACR1 P25103 1/20 0.43
CA2 P00918 2/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE9A O76083 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1440253 1.00 ALDH1A1 (0.50) ALDH1A1MAPTHSD17B10KDM4CAPLNR
SCHEMBL14687631 0.80 CMA1 (0.55) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL18205217 0.75 USP2 (0.53) ALDH1A1MAPTHSD17B10APLNRTACR1
SCHEMBL1439103 0.74 TACR1 (0.47) ALDH1A1MAPTHSD17B10KDM4CAPLNR
SCHEMBL1439107 0.74 TACR1 (0.47) ALDH1A1MAPTHSD17B10KDM4CAPLNR
SCHEMBL13486597 0.74 GSK3A (0.58) ALDH1A1MAPTAPLNRCA2TSHR
SCHEMBL18205235 0.74 ALDH1A1 (0.51) ALDH1A1MAPTHSD17B10KDM4CAPLNR
SCHEMBL30706756 0.73 USP2 (0.51) ALDH1A1MAPTHSD17B10APLNRTACR1
SCHEMBL4154483 0.73 APLNR (0.54) ALDH1A1MAPTAPLNRTACR1TSHR
SCHEMBL19577090 0.73 APLNR (0.54) ALDH1A1MAPTAPLNRCA2TSHR

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-8865726-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors ARRAY BIOPHARMA INC. (US) 2014-10-21 US disclosed
US-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-07-12 US disclosed
WO-2011029027-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-10 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-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, EIF4EBP1 ALDH1A1 3286/4885MAPT 3366/4885HSD17B10 4259/4885

“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.