SCHEMBL4907117

SCHEMBL4907117

COc1cc(-c2nc(SC)nc(Cl)c2C#N)cc(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.56
KMT2A Q03164 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.39
PPARG P37231 1/20 0.39
HTT P42858 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
BRD4 O60885 1/20 0.38
POLB P06746 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
SCHEMBL4905668 0.88 KDM1A (0.44) KDM1AKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL4905886 0.79 PIM1 (0.43) KDM1AKMT2AALDH1A1HPGDKDM4E
SCHEMBL4907415 0.79 KMT2A (0.57) KDM1AKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL4906040 0.78 CYP1A2 (0.71) KDM1AKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL4420483 0.76 RXFP1 (0.61) KDM1AKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL4900833 0.76 KMT2A (0.56) KDM1AKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL6218562 0.73 KMT2A (0.76) KDM1AKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL5079475 0.73 KMT2A (0.53) KDM1AKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL4909225 0.71 KMT2A (0.51) KDM1AKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL2132489 0.70 KMT2A (0.60) KDM1AKMT2ACYP1A2CYP2C9CYP2C19

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 KDM1A 3031/4885KMT2A 3422/4885CYP1A2 1768/4885

“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.