SCHEMBL8248757

SCHEMBL8248757

Cc1ccn(-c2nc(O)c3ccccc3n2)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.40
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.36
BACE1 P56817 1/20 0.36
ERN1 O75460 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
NPFFR1 Q9GZQ6 1/20 0.34
NPFFR2 Q9Y5X5 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
HCRTR1 O43613 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
LRRK2 Q5S007 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL4404585 0.78
SCHEMBL8244942 0.78 GAA (0.42) GPR3CYP1A2ALDH1A1LMNAL3MBTL1
SCHEMBL8244947 0.74 CYP19A1 (0.39) CYP1A2ALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL4408363 0.74 GPR3 (0.38) GPR3CYP1A2ALDH1A1LMNAL3MBTL1
SCHEMBL8248762 0.73 MAPK1 (0.36) GPR3CYP1A2ALDH1A1MAPK1ERN1
SCHEMBL13595100 0.73 MAPT (0.44) GPR3CYP1A2ALDH1A1L3MBTL1MAPK1
SCHEMBL25141383 0.72 KDM4E (0.40) CYP1A2ALDH1A1LMNAL3MBTL1MAPK1
SCHEMBL30628335 0.72 KDM4E (0.40) CYP1A2ALDH1A1LMNAL3MBTL1MAPK1
SCHEMBL31075135 0.71 KDM4E (0.39) CYP1A2ALDH1A1LMNAL3MBTL1MAPK1
SCHEMBL26107625 0.70 KDM4E (0.43) CYP1A2ALDH1A1LMNAL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325889-A1 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR CAMPBELL DAVID ALAN 2009-12-31 US disclosed
US-20090325889-A1 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR CAMPBELL DAVID ALAN 2009-12-31 US disclosed
WO-2007016476-A2 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION (US) 2007-02-08 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-20090325889-A1 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PREP, HPN, PRSS1 GPR3 3964/4885CYP1A2 3010/4885ALDH1A1 1743/4885

“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.