SCHEMBL4809563

SCHEMBL4809563

COc1ccc(/N=C(\N)c2ccc(-n3ccc4cccnc43)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
MAPT P10636 4/20 0.39
SLC22A12 Q96S37 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
LMNA P02545 1/20 0.38
BRAF P15056 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
CDK5 Q00535 1/20 0.38
PAX8 Q06710 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CDC7 O00311 1/20 0.38
CDK2 P24941 1/20 0.38

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
SCHEMBL14194642 1.00 NOS3 (0.39) NOS3HTR3EHTR3BHTR3AHTR3D
SCHEMBL4809566 1.00 NOS3 (0.39) NOS3HTR3EHTR3BHTR3AHTR3D
SCHEMBL4809356 0.86 SLC22A12 (0.37) MAPTSLC22A12CDC7CDK2PARP1
SCHEMBL14194647 0.86 SLC22A12 (0.37) MAPTSLC22A12CDC7CDK2PARP1
SCHEMBL4809383 0.86 SLC22A12 (0.37) MAPTSLC22A12CDC7CDK2PARP1
SCHEMBL4865672 0.85 CDC7 (0.41) SLC22A12RAB9ANPC1CDC7CDK2
SCHEMBL4865680 0.85 CDC7 (0.41) SLC22A12RAB9ANPC1CDC7CDK2
SCHEMBL14194683 0.85 CDC7 (0.41) SLC22A12RAB9ANPC1CDC7CDK2
SCHEMBL4809335 0.83 ADRA2A (0.44) SLC22A12CDC7CDK2PARP1
SCHEMBL4809329 0.83 ADRA2A (0.44) SLC22A12CDC7CDK2PARP1

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 NOS3 106/4885HTR3E 2405/4885HTR3B 1637/4885

“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.