SCHEMBL4121577

SCHEMBL4121577

CCOC(=O)c1cnn2c(-c3ccc(C=O)cc3)c(-c3ccccc3Cl)cnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 10/20 0.46
ALDH1A1 P00352 9/20 0.45
HPGD P15428 7/20 0.45
HSD17B10 Q99714 5/20 0.45
TP53 P04637 2/20 0.45
STAT1 P42224 1/20 0.45
KDR P35968 1/20 0.44
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
GAA P10253 2/20 0.40

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
SCHEMBL2083730 0.91 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL4108806 0.89 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL2087476 0.88 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL4118541 0.87 NPC1 (0.47) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL4115118 0.86 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL2084473 0.83 KDM4E (0.56) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL4118728 0.81 RAB9A (0.47) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL4709877 0.79 NPC1 (0.59) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL4707484 0.77 NPC1 (0.60) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL2055523 0.77 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2LMNAPOLB

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 NPC1 3153/4885RAB9A 364/4885SMN1; SMN2 3307/4885

“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.