SCHEMBL4875800

SCHEMBL4875800

c1ccc(-c2cn(-c3cccnc3)c(-c3ccc(-n4ncc5ccccc54)cc3)n2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.43
CYP11B2 P19099 2/20 0.42
KHK P50053 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2A6 P11509 1/20 0.39
CYP11B1 P15538 1/20 0.37
MAPT P10636 2/20 0.37
NR3C1 P04150 2/20 0.36
GRM1 Q13255 2/20 0.36
PTGS1 P23219 1/20 0.36
PGR P06401 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPP1CA P62136 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LRRK2 Q5S007 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 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
SCHEMBL4874015 0.86 IRAK4 (0.44) IRAK4CYP11B2KHKKDM4ECYP2A6
SCHEMBL4875437 0.83 MAPT (0.47) CYP2A6MAPTPTGS1CYP1A2CYP2C9
SCHEMBL4877552 0.83 ALDH1A1 (0.44) CYP2A6MAPTGRM1CYP1A2CYP2C9
SCHEMBL4808663 0.82 CYP2A6 (0.54) KDM4ECYP2A6MAPTCYP1A2KMT2A
SCHEMBL4877197 0.80 MAPT (0.45) KDM4ECYP2A6MAPTPTGS1CYP1A2
SCHEMBL4812854 0.80 MAPT (0.58) KDM4EMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4810066 0.80 CYP2A6 (0.45) KDM4ECYP2A6MAPTGRM1PTGS1
SCHEMBL4874235 0.79 GSR (0.44) CYP11B2KDM4ECYP2A6MAPTCYP1A2
SCHEMBL4859211 0.79 MAPT (0.42) KDM4ECYP2A6MAPTGRM1PTGS1
SCHEMBL4879358 0.78 GRM1 (0.41) KDM4ECYP2A6MAPTGRM1PTGS1

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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US claimed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 IRAK4 2915/4885CYP11B2 29/4885KHK 2221/4885

“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.