SCHEMBL4874597

SCHEMBL4874597

Cc1ccc(-n2cc(-c3ccccn3)nc2-c2ccc(-n3cc(C)c4nccnc43)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.39
PTGS2 P35354 6/20 0.35
FLT3 P36888 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
PDE4B Q07343 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PPP1CA P62136 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GSK3B P49841 1/20 0.32
CYP2A6 P11509 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
KCNH2 Q12809 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31

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
SCHEMBL4878495 0.83 PTGS1 (0.36) PTGS1PTGS2FLT3IRAK4PDE4B
SCHEMBL4808476 0.83 PTGS1 (0.38) PTGS1PTGS2FLT3IRAK4PDE4B
SCHEMBL4806864 0.82 PDE10A (0.43) PTGS1PTGS2FLT3PDE4BCYP1A2
SCHEMBL4808161 0.81 PTGS1 (0.39) PTGS1PTGS2FLT3IRAK4CYP1A2
SCHEMBL4869273 0.80 PDE10A (0.47) PDE4BMAPTKMT2APDE10A
SCHEMBL4877742 0.78 GABRP (0.40) PTGS2FLT3PDE4BCYP2C19PDE10A
SCHEMBL4807541 0.78 MAPT (0.43) PTGS1PTGS2IRAK4CYP1A2MAPT
SCHEMBL4809497 0.78 KMT2A (0.43) PTGS1PTGS2FLT3IRAK4CYP1A2
SCHEMBL4878202 0.78 MKNK2 (0.42) PTGS1PTGS2FLT3MAPTCYP2A6
SCHEMBL4876566 0.78 DGAT1 (0.36) PTGS1PTGS2FLT3IRAK4CYP1A2

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 PTGS1 527/4885PTGS2 854/4885FLT3 2160/4885

“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.