SCHEMBL6903019

SCHEMBL6903019

CN1C(=O)OCC1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.40
KDM4E B2RXH2 3/20 0.39
APAF1 O14727 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IDH1 O75874 5/20 0.35
HTR7 P34969 1/20 0.35
ABL1 P00519 1/20 0.34
LMNA P02545 1/20 0.34
XPO1 O14980 1/20 0.34
PDE9A O76083 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TERT O14746 1/20 0.34
P2RX7 Q99572 1/20 0.33
SRD5A1 P18405 1/20 0.33
DDB1 Q16531 1/20 0.33

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
SCHEMBL10308831 0.83 MTOR (0.39) MTORKDM4EAPAF1ALDH1A1MAPT
SCHEMBL16181420 0.80 MTOR (0.38) MTORMAPT
SCHEMBL23551274 0.74 KDM4E (0.39) KDM4EAPAF1ALDH1A1MAPTSMN1; SMN2
SCHEMBL10308934 0.73 IDH1 (0.48) MTORALDH1A1MAPTIDH1KMT2A
SCHEMBL6902761 0.71 MTOR (0.44) MTORIDH1TERT
SCHEMBL31424110 0.70 KDM4E (0.34) MTORKDM4EAPAF1ALDH1A1MAPT
SCHEMBL6904739 0.69 MTOR (0.43) MTORIDH1
SCHEMBL23551276 0.69 HCRTR1 (0.37)
SCHEMBL29138906 0.68 KDM4E (0.32) KDM4EAPAF1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6903480 0.68 MTOR (0.42) MTORALDH1A1MAPTSMN1; SMN2IDH1

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 MTOR 1/4885KDM4E 1178/4885APAF1 3491/4885

“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.