SCHEMBL4806030

SCHEMBL4806030

Brc1ccc(-c2nc(-c3ccccn3)cn2-c2cncnc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.40
PTGS1 P23219 1/20 0.38
KDM4E B2RXH2 6/20 0.38
MAPT P10636 4/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
TP53 P04637 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 4/20 0.37
CCR1 P32246 2/20 0.37
CCR5 P51681 2/20 0.37
CCR8 P51685 2/20 0.37
METAP1 P53582 2/20 0.37
POLB P06746 2/20 0.37
CYP1A2 P05177 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL4877532 0.88 ALOX15 (0.40) PTGS1KDM4EMAPTNPC1RAB9A
SCHEMBL4851170 0.86 PTGS2 (0.46) DCTPP1PTGS1KDM4ERAB9AGAA
SCHEMBL4874609 0.85 CYP2A6 (0.50) DCTPP1PTGS1MAPTNPC1RAB9A
SCHEMBL4807815 0.82 NPC1 (0.44) PTGS1KDM4EMAPTNPC1RAB9A
SCHEMBL4805769 0.80 MAPT (0.39) PTGS1MAPTCYP1A2CYP2A6NPSR1
SCHEMBL4808663 0.78 CYP2A6 (0.54) DCTPP1KDM4EMAPTNPC1RAB9A
SCHEMBL4810066 0.76 CYP2A6 (0.45) DCTPP1PTGS1KDM4EMAPTNPC1
SCHEMBL4806280 0.73 CYP2A6 (0.42) PTGS1MAPTNPC1RAB9ATP53
SCHEMBL4813566 0.72 GAA (0.37) NPC1RAB9ATP53SMN1; SMN2GAA
SCHEMBL4878280 0.72 CYP2A6 (0.40) PTGS1KDM4EMAPTNPC1RAB9A

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 DCTPP1 1537/4885PTGS1 527/4885KDM4E 636/4885

“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.