SCHEMBL4900864

SCHEMBL4900864

COc1cc(-c2nc(NC3CC3)nc(O)c2C#N)ccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
ULK1 O75385 2/20 0.41
ULK2 Q8IYT8 2/20 0.41
ADORA1 P30542 5/20 0.41
ADORA2A P29274 4/20 0.41
PDE4B Q07343 1/20 0.39
ATM Q13315 1/20 0.38
AGER Q15109 1/20 0.38
KIT P10721 1/20 0.37
FLT3 P36888 1/20 0.37
PGR P06401 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
SCHEMBL4906222 0.89 ALDH1A1 (0.45) MAPTKDM4EALDH1A1LMNACYP1A2
SCHEMBL4909720 0.83 MAPT (0.51) MAPTKDM4EALDH1A1LMNACYP1A2
SCHEMBL4909542 0.81 CTSS (0.47) ADORA1ADORA2A
SCHEMBL4908567 0.79 ADORA2A (0.57) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4907550 0.79 BRAF (0.42) ADORA1ADORA2APDE4B
SCHEMBL4898198 0.74 HPGD (0.41) MAPTKDM4EALDH1A1LMNACYP1A2
SCHEMBL4911380 0.73 ADORA1 (0.39) CYP1A2ADORA1ADORA2APDE4B
SCHEMBL14281706 0.72 BRAF (0.60) PDE4B
SCHEMBL4906922 0.72 BRAF (0.70) PDE4B
SCHEMBL4898242 0.69 CTSL (0.50) KDM4ELMNAADORA1ADORA2APDE4B

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
EP-1984377-A2 INHIBITORS OF TNF ALPHA , PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH Signal Pharmaceuticals LLC (US) 2008-10-29 EP disclosed
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 US disclosed
WO-2007084560-A2 INHIBITORS OF TNFα, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-26 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-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith PDE4A, PDE4B, BRAF MAPT 3324/4885KDM4E 2429/4885ALDH1A1 1662/4885

“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.