SCHEMBL4047003

SCHEMBL4047003

CN(C)c1nc2sc3c(NCc4ccco4)ncnc3c2c2c1CCC2(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.57
KDM4E B2RXH2 9/20 0.57
HTT P42858 6/20 0.57
LMNA P02545 2/20 0.57
THRB P10828 1/20 0.57
HIF1A Q16665 1/20 0.57
HPGD P15428 6/20 0.56
MAPT P10636 4/20 0.56
RXFP1 Q9HBX9 2/20 0.56
ADRB2 P07550 4/20 0.54
PDE4B Q07343 5/20 0.49
REN P00797 1/20 0.49
TSHR P16473 4/20 0.48
POLB P06746 4/20 0.47
MAPK1 P28482 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47

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
SCHEMBL4176858 0.85 ALDH1A1 (0.67) ALDH1A1KDM4EHTTLMNATHRB
SCHEMBL4045300 0.81 PDE4B (0.51) ALDH1A1KDM4EHTTLMNATHRB
SCHEMBL4044358 0.81 KDM4E (0.60) ALDH1A1KDM4EHTTLMNATHRB
SCHEMBL4047105 0.76 PDE4B (0.52) ALDH1A1KDM4EHTTLMNAHPGD
SCHEMBL4045934 0.76 PDE4B (0.67) ALDH1A1KDM4EHTTLMNATHRB
SCHEMBL24256415 0.76 ALDH1A1 (0.73) ALDH1A1KDM4EHTTLMNATHRB
SCHEMBL4054593 0.75 POLB (0.49) ALDH1A1KDM4ELMNARXFP1PDE4B
SCHEMBL4053613 0.74 PDE4B (0.61) ALDH1A1KDM4ELMNAHPGDMAPT
SCHEMBL4046645 0.74 PDE4B (0.60) ALDH1A1KDM4ELMNAHPGDADRB2
SCHEMBL24256346 0.74 ALDH1A1 (0.67) ALDH1A1KDM4EHTTLMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029955-A1 Pyridothienopyrimidine Derivatives ALMIRALL PRODESFARMA S.A. (ES) 2009-01-29 US claimed
EP-1819710-B1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES ALMIRALL LAB (ES) 2009-03-11 EP disclosed
EP-1819710-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2007-08-22 EP disclosed
WO-2006058724-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-08 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-20090029955-A1 Pyridothienopyrimidine Derivatives PNPO, PDE4A, DPYD ALDH1A1 391/4885KDM4E 1600/4885HTT 3871/4885

“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.