SCHEMBL1439281

SCHEMBL1439281

CN(C)/C=N/C(=O)c1ccc(Br)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 7/20 0.44
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HPGD P15428 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 2/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.39
ATM Q13315 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL1439285 1.00 HTT (0.47) HTTL3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL482054 0.83 ALDH1A1 (0.43) HTTL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL482052 0.83 ALDH1A1 (0.43) HTTL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL1439471 0.83 ALDH1A1 (0.43) HTTL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL1439475 0.82 POLB (0.47) HTTL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL1439477 0.82 POLB (0.47) HTTL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL17111015 0.80 HPGD (0.49) HTTL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL29133151 0.79 HTT (0.46) HTTL3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL29133149 0.79 HTT (0.46) HTTL3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL11290394 0.77 RAB9A (0.51) HTTL3MBTL1ALDH1A1MAPTSMN1; 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 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 HTT 3319/4885L3MBTL1 1875/4885ALDH1A1 3286/4885

“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.