SCHEMBL4876491

SCHEMBL4876491

Cc1ccc(-n2cc(-c3cccs3)nc2-c2ccc(-c3ccnc(N)c3N)cc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
HSD17B10 Q99714 5/20 0.34
CASP1 P29466 3/20 0.34
CHEK1 O14757 1/20 0.34
CHEK2 O96017 1/20 0.34
ADK P55263 1/20 0.34
FYN P06241 3/20 0.33
NPC1 O15118 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
CASP7 P55210 2/20 0.33
MAPK1 P28482 2/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL4856735 0.87 CHEK1 (0.33) CHEK1CHEK2ATRPTGS1PTGS2
SCHEMBL4845511 0.85 TLR7 (0.38) HPGDCHEK2ADORA2AADORA1PTGS1
SCHEMBL4812977 0.84 PTGS1 (0.34) KMT2ACHEK2NPC1MAPTRAB9A
SCHEMBL4851752 0.83 CYP2E1 (0.36) ADORA2AADORA1PTGS1PTGS2CYP2E1
SCHEMBL4854572 0.82 PTGS1 (0.33) CHEK2PTGS1PTGS2
SCHEMBL4860628 0.81 KDM4E (0.38) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4902397 0.80 AKT1 (0.30) CHEK1CHEK2
SCHEMBL14194758 0.79 PDE10A (0.39) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4867771 0.77 PTGS1 (0.31) PTGS1PTGS2
SCHEMBL4805276 0.73 PDE10A (0.45) KDM4EALDH1A1HPGDMEN1KMT2A

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 1 patent. 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

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 636/4885ALDH1A1 204/4885HPGD 514/4885

“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.