SCHEMBL4810175

SCHEMBL4810175

NC(=Nc1cccnc1)c1ccc(-n2ccc3cccnc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
CDC7 O00311 1/20 0.40
CDK2 P24941 1/20 0.40
PARP1 P09874 1/20 0.39
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
SLC22A12 Q96S37 7/20 0.36
MKNK2 Q9HBH9 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.33
AURKA O14965 1/20 0.32
CDK4 P11802 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL4810167 1.00 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14194643 0.91 CDC7 (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4878829 0.91 CDC7 (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4811122 0.91 CDC7 (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4865680 0.88 CDC7 (0.41) CDC7CDK2PARP1SLC22A12MKNK2
SCHEMBL4865672 0.88 CDC7 (0.41) CDC7CDK2PARP1SLC22A12MKNK2
SCHEMBL14194683 0.88 CDC7 (0.41) CDC7CDK2PARP1SLC22A12MKNK2
SCHEMBL8216819 0.86 ADRA2A (0.44) CDC7CDK2PARP1SLC22A12MEN1
SCHEMBL4809329 0.86 ADRA2A (0.44) CDC7CDK2PARP1SLC22A12MEN1
SCHEMBL4809335 0.86 ADRA2A (0.44) CDC7CDK2PARP1SLC22A12MEN1

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 2 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
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 HTR3E 2405/4885HTR3B 1637/4885HTR3A 1834/4885

“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.