SCHEMBL5097174

SCHEMBL5097174

COc1ccc(Oc2ncc3c(-c4ccccc4Cl)n[nH]c3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.42
MAPK10 P53779 2/20 0.42
PIK3CD O00329 3/20 0.41
NPBWR1 P48145 3/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALPL P05186 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALOX15 P16050 1/20 0.38
CYP3A4 P08684 3/20 0.37
GLA P06280 1/20 0.37
CYP2C9 P11712 1/20 0.37
CASP1 P29466 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 2/20 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
SCHEMBL5106271 0.91 NPSR1 (0.40) MAPK8MAPK10PIK3CDGAAMAPT
SCHEMBL5097314 0.91 NPC1 (0.39) CNR1KDM4EALPLGAAMEN1
SCHEMBL5106221 0.89 MAPK14 (0.40) CNR1CNR2MAPTMEN1KMT2A
SCHEMBL5093838 0.86 BTK (0.38) PIK3CDALPLMEN1KMT2ACYP3A4
SCHEMBL5106358 0.86 GSK3A (0.39) NPBWR1CNR1CNR2LMNAKDM4E
SCHEMBL5097468 0.84 CNR1 (0.44) CNR1CNR2GSK3AGSK3B
SCHEMBL5100378 0.83 MAPK14 (0.40) PIK3CDCNR1ALPLGAAKMT2A
SCHEMBL5100057 0.83 DYRK1A (0.40) MAPK8MAPK10CNR1LMNAKDM4E
SCHEMBL5093637 0.80 PIK3CD (0.48) PIK3CDLMNAKDM4EMAPTMEN1
SCHEMBL5097291 0.80 MAPK14 (0.46) GSK3AGSK3B

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 7 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
EP-1720878-A1 HETEROARYL-FUSED PYRAZOLO DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-11-15 EP claimed
WO-2005085248-A1 HETEROARYL-FUSED PYRAZOLO DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO 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
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
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
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-15 US 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 MAPK8 35/4885MAPK10 45/4885PIK3CD 1166/4885

“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.