SCHEMBL4907135

SCHEMBL4907135

N#Cc1c(Cl)nc(NC2CC2)nc1OCc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 2/20 0.42
CSF1R P07333 2/20 0.40
ADORA1 P30542 2/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADORA2A P29274 1/20 0.37
MAPK1 P28482 2/20 0.37
ROCK2 O75116 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
CSNK1D P48730 1/20 0.37
MAPK10 P53779 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL4906591 0.77 KMT2A (0.38) ADORA1ACHEADORA2ASLC6A4KMT2A
SCHEMBL4908292 0.76 KMT2A (0.56) ADORA1ACHEADORA2AMAPK1KDM4E
Pyridine SCHEMBL4898097 0.74 ACHE (0.40) ACHEMAPK1KDM4ESMN1; SMN2KMT2A
SCHEMBL4904086 0.72 ACHE (0.43) SQORCSF1RACHEHPGDMAPK8
SCHEMBL4907067 0.71 PDE4A (0.44) ACHEMAPK1KDM4E
SCHEMBL4907213 0.68 BRAF (0.66)
SCHEMBL3545741 0.68 RXFP1 (0.55) SQORADORA1ADORA2AMAPK1KDM4E
SCHEMBL1732434 0.67 MGMT (0.53) NPSR1KDM4ECCR4HRH4SLC6A4
SCHEMBL7017972 0.66 ALDH1A1 (0.49) SQORCSF1RADORA1HPGDADORA2A
SCHEMBL4416389 0.66 ACHE (0.43) ADORA1ACHEHPGDNPSR1MAPK1

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 SQOR 3682/4885CSF1R 1528/4885ADORA1 529/4885

“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.