SCHEMBL4744102

SCHEMBL4744102

Clc1nc(-c2ccccc2)nc2ccsc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.56
PDE4B Q07343 3/20 0.56
PDE4C Q08493 3/20 0.56
PDE4D Q08499 3/20 0.56
HTT P42858 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
AXL P30530 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
CASP3 P42574 1/20 0.43
ADORA2A P29274 3/20 0.42
ADORA1 P30542 2/20 0.41
PRKCI P41743 2/20 0.41
NPC1 O15118 1/20 0.40
MAPK1 P28482 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
SCHEMBL13789313 0.86 AXL (0.46) PDE4APDE4BPDE4CPDE4DAXL
SCHEMBL14095086 0.84 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL14104139 0.83 RAB9A (0.50) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL13789316 0.83 MAPT (0.50) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL14103744 0.83 AXL (0.43) PDE4APDE4BPDE4CPDE4DAXL
SCHEMBL14103785 0.83 MTOR (0.52) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL13789319 0.83 AXL (0.43) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL14095491 0.82 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL14103880 0.81 DHPS (0.43) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL960250 0.81 PIK3CA (0.59) PDE4APDE4BPDE4CPDE4DLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008092860-A1 BICYCLIC DERIVATIVES AS EP4 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-07 WO disclosed
US-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-09-13 US disclosed
WO-2007056215-A9 N-ARYL-THIENOPYRIMIDIN-4-AMINES AND THE USE THEREOF CYTOVIA INC (US) 2007-09-13 WO disclosed
WO-2007056214-A2 N-ALKYL-N-ARYL-THIENOPYRIMIDIN-R-AMINES AND USES THEREOF CYTOVIA, INC (US) 2007-05-18 WO disclosed
WO-2007056215-A2 N-ARYL-THIENOPYRIMIDIN-4-AMINES AND THE USE THEREOF CYTOVIA, INC. (US) 2007-05-18 WO disclosed
US-20070099877-A1 N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-05-03 US 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 (2 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-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP10, CASP4, CASP3 PDE4A 747/4885PDE4B 818/4885PDE4C 1555/4885
US-20070099877-A1 N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP3, API5 PDE4A 809/4885PDE4B 820/4885PDE4C 1619/4885

“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.