SCHEMBL4860628

SCHEMBL4860628

Cc1ccc(-n2cc(-c3cccs3)nc2-c2ccc(I)cc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
HSD17B10 Q99714 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
PTGS1 P23219 2/20 0.36
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
GAA P10253 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
HPGD P15428 2/20 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
SCHEMBL4853177 0.86 PTGS1 (0.38) PTGS1MAPTPTGS2PDE10A
SCHEMBL4868735 0.82 PTGS1 (0.39) NPC1RAB9APTGS1PTGS2CYP2A6
SCHEMBL4876491 0.81 KDM4E (0.36) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL4807681 0.81 CYP3A4 (0.39) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL4808161 0.80 PTGS1 (0.39) KDM4EKMT2ASMN1; SMN2TP53PTGS1
SCHEMBL14194758 0.79 PDE10A (0.39) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL4869849 0.79 PTGS1 (0.38) PTGS1PTGS2PDE10A
SCHEMBL4805276 0.78 PDE10A (0.45) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL14194755 0.77 L3MBTL1 (0.40) MEN1KMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL4806593 0.76 MAPT (0.41) MEN1KMT2AALDH1A1NPC1RAB9A

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 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
WO-2008004117-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 KDM4E 636/4885HSD17B10 57/4885MEN1 913/4885

“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.