SCHEMBL5097239

SCHEMBL5097239

CCOc1ncccc1-c1cc[c]cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 14/20 0.40
PDE1B Q01064 14/20 0.40
PDE1C Q14123 14/20 0.40
METAP2 P50579 2/20 0.40
RORC P51449 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX5AP P20292 1/20 0.37

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
SCHEMBL28195540 0.84 L3MBTL1 (0.47) PDE1APDE1BPDE1CMETAP2L3MBTL1
SCHEMBL2037809 0.83 BTK (0.46) L3MBTL1ALOX5AP
SCHEMBL2044328 0.83 FFAR2 (0.41) ALOX5AP
SCHEMBL8214958 0.78 ADRB2 (0.50) PDE1APDE1BPDE1CMETAP2RORC
SCHEMBL29982576 0.77 PDE1A (0.45) PDE1APDE1BPDE1CL3MBTL1HPGD
SCHEMBL28944832 0.77 ALDH1A1 (0.41) PDE1APDE1BPDE1CL3MBTL1HPGD
SCHEMBL29983324 0.77 CYP19A1 (0.50) PDE1APDE1BPDE1CHPGDSMN1; SMN2
SCHEMBL2006626 0.75 PDE1A (0.43) PDE1APDE1BPDE1CMETAP2ALOX5AP
SCHEMBL5097231 0.74 PDE1A (0.39) PDE1APDE1BPDE1CL3MBTL1
SCHEMBL444326 0.74 PTPRC (0.51) L3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US claimed
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-15 US claimed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US disclosed
EP-1720878-A1 HETEROARYL-FUSED PYRAZOLO DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-11-15 EP disclosed
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-15 US disclosed
WO-2005085248-A1 HETEROARYL-FUSED PYRAZOLO DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-09-15 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-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same MAP3K1, MAP3K21, MAP3K2 PDE1A 845/4885PDE1B 715/4885PDE1C 1405/4885

“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.