SCHEMBL13696451

SCHEMBL13696451

Cc1nn(CC2CC2)c(C)c1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.49
ALDH1A1 P00352 2/20 0.46
APAF1 O14727 1/20 0.41
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
MPO P05164 1/20 0.37
BRD4 O60885 3/20 0.36
POLB P06746 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
BRDT Q58F21 1/20 0.36

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
SCHEMBL1849563 0.91 CRHR1 (0.44) CRHR1ALDH1A1APAF1MAPTKMT2A
SCHEMBL1849564 0.91 CRHR1 (0.44) CRHR1ALDH1A1APAF1MAPTKMT2A
SCHEMBL18482876 0.90 MEN1 (0.49) CRHR1ALDH1A1APAF1MAPTKMT2A
SCHEMBL26048346 0.87 CRHR1 (0.42) CRHR1ALDH1A1APAF1MAPTKMT2A
SCHEMBL24014820 0.80 MAPT (0.37) CRHR1ALDH1A1MAPTKMT2AMEN1
SCHEMBL15445674 0.77 MAPT (0.35) CRHR1ALDH1A1MAPTKMT2AMEN1
SCHEMBL15334776 0.76 CRHR1 (0.41) CRHR1ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL1849400 0.76 CRHR1 (0.54) CRHR1KMT2AL3MBTL1
SCHEMBL1849402 0.76 CRHR1 (0.54) CRHR1KMT2AL3MBTL1
SCHEMBL27877466 0.74 CRHR1 (0.45) CRHR1ALDH1A1MAPTKMT2AMEN1

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-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
US-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
WO-2009010871-A2 PYRAZOLE DERIVATIVES AS ANTAGONISTS OF ADENOSINE A3 RECEPTOR ADDEX PHARMA S.A. (CH) 2009-01-22 WO disclosed
EP-1903045-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2008-03-26 EP 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-20090234117-A1 Pyrazolopyrimidine Derivative MC2R, CRHR1, AVPR2 CRHR1 2/4885ALDH1A1 1328/4885APAF1 3994/4885

“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.