SCHEMBL4906040

SCHEMBL4906040

CSc1nc(Cl)c(C#N)c(-c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.71
CYP2C9 P11712 2/20 0.71
CYP2C19 P33261 2/20 0.71
KMT2A Q03164 2/20 0.71
KDM1A O60341 9/20 0.50
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
PPARG P37231 1/20 0.46
HTT P42858 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
DCUN1D1 Q96GG9 2/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
LMNA P02545 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
ACMSD Q8TDX5 1/20 0.40

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
SCHEMBL4903971 0.86 KMT2A (0.53) CYP1A2CYP2C9CYP2C19KMT2AKDM1A
SCHEMBL6218562 0.81 KMT2A (0.76) CYP1A2CYP2C9CYP2C19KMT2AKDM1A
SCHEMBL4905882 0.81 KMT2A (0.49) CYP1A2CYP2C9CYP2C19KMT2AKDM1A
SCHEMBL2729737 0.79 KMT2A (0.60) CYP1A2CYP2C9CYP2C19KMT2AKDM1A
SCHEMBL4420483 0.78 RXFP1 (0.61) CYP1A2CYP2C9CYP2C19KMT2AKDM1A
SCHEMBL4907117 0.78 KDM1A (0.56) CYP1A2CYP2C9CYP2C19KMT2AKDM1A
SCHEMBL4907471 0.78 KDM1A (0.47) CYP1A2CYP2C9CYP2C19KMT2AKDM1A
SCHEMBL4907514 0.77 KDM1A (0.50) CYP1A2CYP2C9CYP2C19KMT2AKDM1A
SCHEMBL4908417 0.77 KMT2A (0.58) CYP1A2CYP2C9CYP2C19KMT2AKDM1A
SCHEMBL4905895 0.77 ALDH1A1 (0.47) CYP1A2CYP2C9CYP2C19KMT2AALDH1A1

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 CYP1A2 1768/4885CYP2C9 1938/4885CYP2C19 2114/4885

“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.