SCHEMBL5912331

SCHEMBL5912331

Cc1ccsc1-c1cnc(Cl)nc1NCc1c(F)cccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
STIM1 Q13586 4/20 0.38
ORAI1 Q96D31 4/20 0.38
CHRM3 P20309 1/20 0.37
CLK1 P49759 2/20 0.36
DYRK1A Q13627 2/20 0.36
DYRK2 Q92630 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
POLB P06746 2/20 0.35
CYP2A6 P11509 2/20 0.35
DYRK3 O43781 1/20 0.35
CLK2 P49760 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK4 Q9NR20 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL5912735 0.82 CASP6 (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL15533833 0.81 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5912149 0.77 BTK (0.45) PDE4APDE4BPDE4CPDE4DSTIM1
SCHEMBL5912652 0.74 L3MBTL1 (0.43) CLK1DYRK1ADYRK2DYRK1BGAA
SCHEMBL5912776 0.73 ALDH1A1 (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5912780 0.73 ALDH1A1 (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL22272084 0.71 JAK3 (0.44) JAK2JAK1JAK3
SCHEMBL5912176 0.71 CYP2A6 (0.50) CYP2A6CYP3A4CYP2B6CYP2C19ALDH1A1
SCHEMBL5912875 0.70 PIN1 (0.46) POLBCYP3A4CYP2C19GAAALDH1A1
SCHEMBL22261251 0.69 JAK2 (0.54) JAK2JAK1JAK3

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
US-20060194811-A1 Pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-08-31 US disclosed
EP-1595869-A1 PYRIMIDINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-11-16 EP 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-20060194811-A1 Pyrimidine derivatives ADORA3, NR4A1, NR0B1 PDE4A 3011/4885PDE4B 3448/4885PDE4C 3235/4885

“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.