SCHEMBL6903384

SCHEMBL6903384

CC(C)c1ccc(-c2nc[nH]n2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TRPV1 Q8NER1 12/20 0.34
GCGR P47871 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
NOTUM Q6P988 1/20 0.31
KMO O15229 1/20 0.30

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
SCHEMBL10308908 0.83 HDAC6 (0.38) TRPV1GCGRLMNANOTUM
SCHEMBL10308903 0.83 KDM4E (0.35) NPSR1LMNAHTTNOTUM
SCHEMBL9844271 0.80 TP53 (0.53) TP53NPC1RAB9ANPSR1LMNA
SCHEMBL12127297 0.80 AHR (0.48) NPC1RAB9ANPSR1HTTADORA2A
SCHEMBL10308948 0.79 ALDH1A1 (0.45) TP53NPC1RAB9ANPSR1TRPV1
SCHEMBL22356576 0.75 AHR (0.48) TP53TRPV1GCGRLMNAHTT
SCHEMBL21880317 0.75 TP53 (0.66) TP53NPC1RAB9ANPSR1LMNA
SCHEMBL10308885 0.72 LMNA (0.37) TP53NPC1RAB9ANPSR1LMNA
SCHEMBL23809461 0.72 NR4A2 (0.34) NPSR1LMNAHTT
SCHEMBL26110328 0.71 ADH5 (0.37) TP53NPC1RAB9A

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 TP53 419/4885NPC1 1685/4885RAB9A 637/4885

“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.