SCHEMBL3798735

SCHEMBL3798735

CC1(C)OB(c2cncc(C3=CCCC3)c2)OC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.50
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
PPARA Q07869 1/20 0.36
HTR1A P08908 2/20 0.36
MAPK1 P28482 1/20 0.35
PSMB5 P28074 2/20 0.34
LPL P06858 6/20 0.33
LIPG Q9Y5X9 6/20 0.33
PIM1 P11309 1/20 0.32
BACE1 P56817 1/20 0.31
FFAR1 O14842 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
SCHEMBL22448147 0.79 LIPG (0.54) P2RX7MAPK1LPLLIPG
SCHEMBL4154520 0.79 QDPR (0.40)
SCHEMBL30919843 0.79 P2RX7 (0.47) P2RX7PPARAHTR1ALPLLIPG
SCHEMBL31334233 0.75 LIPG (0.43) P2RX7HTR1ALPLLIPGBACE1
SCHEMBL12845155 0.75 LIPG (0.53) P2RX7LPLLIPG
SCHEMBL12373176 0.75 LPL (0.44) P2RX7MAPK1LPLLIPGFFAR1
SCHEMBL4161348 0.74 QDPR (0.46)
SCHEMBL22448166 0.74 LIPG (0.51) P2RX7LPLLIPGBACE1
SCHEMBL3796275 0.72 LIPG (0.62) PDGFRBLPLLIPG
SCHEMBL25160238 0.71 P2RX7 (0.39) P2RX7LPLLIPG

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-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 P2RX7 821/4885PDGFRB 221/4885PDGFRA 100/4885

“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.