SCHEMBL4120972

SCHEMBL4120972

CCOC(=O)c1cnn2c(N3CCC(OCC)CC3)c(-c3ccccc3Cl)cnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41
STAT1 P42224 1/20 0.41
ADORA1 P30542 2/20 0.40
KDR P35968 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4120324 0.92 GPR119 (0.39) KDM4ENPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL2086791 0.91 KDM4E (0.46) KDM4ENPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL4121602 0.91 KDM4E (0.46) KDM4ENPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL4129151 0.89 KDM4E (0.49) KDM4ENPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL2084473 0.81 KDM4E (0.56) KDM4ENPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL2085113 0.78 KMT2A (0.45) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2083730 0.76 NPC1 (0.58) KDM4ENPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL4108806 0.74 ALDH1A1 (0.52) KDM4ENPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL4118541 0.73 NPC1 (0.47) KDM4ENPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL4121577 0.73 NPC1 (0.47) KDM4ENPC1RAB9ASMN1; SMN2NFKB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188097-B2 Pyrazolo[1,5-A]pyrimidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-29 US disclosed
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds TANABE SEIYAKU CO., LTD. (JP) 2009-03-12 US disclosed
EP-1945220-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CANNABINOID RECEPTOR ANTAGONISTS Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-23 EP disclosed
WO-2007046548-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CANNABINOID RECEPTOR ANTAGONISTS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-04-26 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-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds RECQL, QTRT1, DPYD KDM4E 2108/4885NPC1 3153/4885RAB9A 364/4885

“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.