SCHEMBL3639802

SCHEMBL3639802

Fc1ccc(CNc2nc(Cl)nc3cccc(Cl)c23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.52
PDE5A O76074 2/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
KCNA5 P22460 2/20 0.46
JAK2 O60674 2/20 0.46
IGF1R P08069 1/20 0.46
PIM1 P11309 1/20 0.46
SRC P12931 1/20 0.46
CSNK2A2 P19784 1/20 0.46
JAK1 P23458 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
TYK2 P29597 1/20 0.46
FLT4 P35916 1/20 0.46
FLT3 P36888 1/20 0.46
MAP3K8 P41279 1/20 0.46
CSNK1A1 P48729 1/20 0.46

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
SCHEMBL3641178 0.87 APP (0.68) APPPDE5AMEN1KMT2ALMNA
SCHEMBL3110419 0.83 CCNE1 (0.52) APPPDE5ALMNAKCNA5JAK2
SCHEMBL3637955 0.81 CTNNB1 (0.55) PDE5AMAPTCTNNB1TCF7L2NPSR1
SCHEMBL3782735 0.81 APP (0.81) APPPDE5AMEN1KMT2ALMNA
SCHEMBL3644600 0.80 CTNNB1 (0.55) PDE5ALMNAMAPTCTNNB1TCF7L2
SCHEMBL7258124 0.79 DRD2 (0.50) APPPDE5AMAPTKCNA5JAK2
SCHEMBL12176085 0.76 RAD52 (0.63) APPPDE5AKMT2ALMNAMAPT
SCHEMBL4176767 0.75 CTNNB1 (0.78) CTNNB1TCF7L2
SCHEMBL3643055 0.75 PDE5A (0.58) APPPDE5AMEN1KMT2ALMNA
SCHEMBL7337359 0.74 KDM4E (0.51) APPPDE5AMEN1KMT2ALMNA

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
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 US disclosed
EP-2173346-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS Summit Corporation Plc (GB) 2010-04-14 EP disclosed
WO-2009001060-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS SUMMIT CORPORATION PLC (GB) 2008-12-31 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-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS TPX2, DCXR, RRM2 APP 3840/4885PDE5A 2048/4885MEN1 2422/4885

“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.