SCHEMBL4903707

SCHEMBL4903707

COc1cncc(-c2nc(C)nc(Cl)c2C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
ADORA1 P30542 8/20 0.43
ADORA2A P29274 7/20 0.43
ADORA2B P29275 4/20 0.43
CYP11B1 P15538 5/20 0.43
CYP11B2 P19099 5/20 0.43
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4911968 0.86 ADORA1 (0.53) ALDH1A1HPGDKMT2AMEN1POLB
SCHEMBL4900936 0.84 CYP11B1 (0.43) ADORA1ADORA2AADORA2BCYP11B1CYP11B2
SCHEMBL4900833 0.84 KMT2A (0.56) ALDH1A1HPGDKMT2AMEN1POLB
SCHEMBL4908835 0.80 CYP11B1 (0.44) ALDH1A1HPGDKMT2AMEN1POLB
SCHEMBL4908545 0.80 BRAF (0.49) ALDH1A1HPGDKMT2AMEN1POLB
SCHEMBL4899129 0.73 ADORA1 (0.53) KMT2AMEN1ADORA1ADORA2AADORA2B
SCHEMBL18893664 0.72 ADORA2A (0.64) ALDH1A1HPGDKMT2AMEN1ADORA1
SCHEMBL18893660 0.71 RXFP1 (0.46) KMT2AADORA1ADORA2AADORA2BCYP11B1
SCHEMBL4908370 0.71 KMT2A (0.53) ALDH1A1HPGDKMT2AMEN1CYP11B1
SCHEMBL4905882 0.71 KMT2A (0.49) ALDH1A1HPGDKMT2AMEN1POLB

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 ALDH1A1 1662/4885HPGD 1654/4885KMT2A 3422/4885

“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.