SCHEMBL1439397

SCHEMBL1439397

O=C1N[C@@H](c2cccc(Cl)c2)CO1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.48
SLC6A2 P23975 4/20 0.44
TAAR1 Q96RJ0 1/20 0.44
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MDM2 Q00987 2/20 0.43
TP53 P04637 1/20 0.43
SLC6A4 P31645 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP19A1 P11511 1/20 0.38
EPAS1 Q99814 1/20 0.38

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
SCHEMBL28983054 1.00 SLC6A3 (0.48) SLC6A3SLC6A2TAAR1MAPTGAA
SCHEMBL1439400 1.00 SLC6A3 (0.48) SLC6A3SLC6A2TAAR1MAPTGAA
SCHEMBL30370108 1.00 SLC6A3 (0.48) SLC6A3SLC6A2TAAR1MAPTGAA
SCHEMBL28983100 0.82 KDM1A (0.42) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL30370299 0.82 KDM1A (0.42) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL30370014 0.82 KDM1A (0.42) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL5021772 0.82 KDM1A (0.42) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL28983102 0.82 KDM1A (0.42) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL28983091 0.81 CYP19A1 (0.47) MEN1KMT2ACYP19A1
SCHEMBL31494783 0.81 CYP19A1 (0.47) MEN1KMT2ACYP19A1

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 SLC6A3 3402/4885SLC6A2 3880/4885TAAR1 4107/4885

“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.