SCHEMBL1439103

SCHEMBL1439103

COc1ccc(CN2C[C@H](C(C)C)NC2=O)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
BTK Q06187 1/20 0.46
TSHR P16473 2/20 0.44
APLNR P35414 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL1439107 1.00 TACR1 (0.47) TACR1ALDH1A1MAPTBTKTSHR
SCHEMBL10277302 0.81 MMP1 (0.58) TACR1ALDH1A1MAPTKMT2AMEN1
SCHEMBL10277306 0.81 MMP1 (0.58) TACR1ALDH1A1MAPTKMT2AMEN1
SCHEMBL5242477 0.74 ALDH1A1 (0.50) TACR1ALDH1A1MAPTBTKTSHR
SCHEMBL1440249 0.74 ALDH1A1 (0.50) TACR1ALDH1A1MAPTTSHRAPLNR
SCHEMBL1440253 0.74 ALDH1A1 (0.50) TACR1ALDH1A1MAPTTSHRAPLNR
SCHEMBL16876348 0.74 BTK (0.47) TACR1ALDH1A1MAPTBTKTSHR
SCHEMBL15925963 0.74 BTK (0.45) TACR1ALDH1A1MAPTBTKTSHR
SCHEMBL23084817 0.73 ALDH1A1 (0.49) TACR1ALDH1A1MAPTBTKTSHR
SCHEMBL16963946 0.73 BTK (0.48) TACR1ALDH1A1MAPTBTKTSHR

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-8865726-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors ARRAY BIOPHARMA INC. (US) 2014-10-21 US disclosed
US-8796272-B2 Glycine transporter-inhibiting substances TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-08-05 US disclosed
US-8796272-B2 Glycine transporter-inhibiting substances TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-08-05 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 TACR1 3760/4885ALDH1A1 3286/4885MAPT 3366/4885

“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.