SCHEMBL4046032

SCHEMBL4046032

CC1(C)Cc2c(N3CCOCC3)nc3sc4c(Cl)ncnc4c3c2C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.67
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
MAPT P10636 1/20 0.58
AGTR1 P30556 1/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PDE4A P27815 6/20 0.58
PDE4D Q08499 6/20 0.58
EEF2K O00418 1/20 0.55
TSHR P16473 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
ADRB2 P07550 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
ABL1 P00519 1/20 0.53

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
SCHEMBL4057386 0.92 PDE4B (0.69) PDE4BKMT2AKDM4EALDH1A1LMNA
SCHEMBL4048665 0.90 KDM4E (0.56) PDE4BKMT2AKDM4EALDH1A1LMNA
SCHEMBL5013083 0.88 TSHR (0.71) PDE4BKMT2AKDM4EALDH1A1MAPT
SCHEMBL4049404 0.87 PDE4B (0.70) PDE4BKMT2AKDM4EALDH1A1LMNA
SCHEMBL5013058 0.85 PDE4B (0.71) PDE4BKMT2AKDM4EALDH1A1LMNA
SCHEMBL19805199 0.84 EEF2K (0.77) KMT2AKDM4EALDH1A1LMNAMAPT
SCHEMBL4048398 0.83 PDE4B (0.69) PDE4BKMT2AKDM4EALDH1A1LMNA
SCHEMBL4048395 0.82 PDE4B (0.62) PDE4BKMT2AKDM4EALDH1A1MAPT
SCHEMBL4048607 0.81 PDE4B (0.64) PDE4BKMT2AKDM4EALDH1A1LMNA
SCHEMBL4048329 0.81 PDE4B (0.56) PDE4BKMT2AKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819710-B1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES ALMIRALL LAB (ES) 2009-03-11 EP disclosed
US-20090029955-A1 Pyridothienopyrimidine Derivatives ALMIRALL PRODESFARMA S.A. (ES) 2009-01-29 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 (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 PDE4B 5/4885KMT2A 3084/4885KDM4E 1600/4885

“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.