SCHEMBL4098946

SCHEMBL4098946

Cc1cnc(NC2CCSCC2)c(C(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.38
DHODH Q02127 2/20 0.37
CHEK1 O14757 1/20 0.37
OPRK1 P41145 1/20 0.36
CSNK2A1 P68400 6/20 0.35
MAPK1 P28482 1/20 0.35
SYK P43405 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 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
SCHEMBL12942174 0.84 MAPK1 (0.52) MAPK1
SCHEMBL12941959 0.84 HCAR3 (0.38) HCAR3CHEK1CSNK2A1MAPK1CSNK2A2
SCHEMBL4100544 0.84 HCAR3 (0.38) HCAR3CHEK1OPRK1CSNK2A1CSNK2A2
SCHEMBL8234399 0.81 SMYD3 (0.51) SYK
SCHEMBL4109875 0.77 BTK (0.44) LMNA
SCHEMBL8236915 0.77 BTK (0.44) LMNA
SCHEMBL4104650 0.76 MAPK1 (0.38) HCAR3DHODHCHEK1OPRK1MAPK1
SCHEMBL4099139 0.75 DHODH (0.50) DHODHLMNAGAAALDH1A1TSHR
SCHEMBL12941750 0.73 SYK (0.42) HCAR3CHEK1OPRK1MAPK1SYK
SCHEMBL21593684 0.73 KMT2A (0.45) HCAR3CSNK2A1SYK

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-20090233907-A1 Pyridopyrimidine Derivatives and Their Use as PDE4 Inhibitors ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-20090233907-A1 Pyridopyrimidine Derivatives and Their Use as PDE4 Inhibitors ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-20090233907-A1 Pyridopyrimidine Derivatives and Their Use as PDE4 Inhibitors ASTRAZENECA AB (SE) 2009-09-17 US disclosed
WO-2007108750-A1 PYRIDOPYRIMIDINE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2007-09-27 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-20090233907-A1 Pyridopyrimidine Derivatives and Their Use as PDE4 Inhibitors PDE4A, PDE4B, PDE12 HCAR3 2700/4885DHODH 155/4885CHEK1 2961/4885

“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.