SCHEMBL17604167

SCHEMBL17604167

NCc1nc2c(C3CCCC3)n[nH]c2c(=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ ADORA1 P30542 2/20 0.34
▸ PDE5A O76074 2/20 0.34
▸ PDE1A P54750 2/20 0.34
▸ PDE1B Q01064 2/20 0.34
▸ PDE1C Q14123 2/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ ADORA2A P29274 3/20 0.34
▸ ADORA2B P29275 3/20 0.34
▸ PNP P00491 1/20 0.32
▸ CHEK1 O14757 2/20 0.31
▸ LMNA P02545 2/20 0.30
▸ CYP1A2 P05177 2/20 0.30
▸ ADORA3 P0DMS8 2/20 0.30
▸ PMP22 Q01453 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ GMNN O75496 1/20 0.30

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
Hydrochloric Acid SCHEMBL17604355 0.99 PRMT5 (0.35) PRMT5WDR77ADORA1PDE5APDE1A
SCHEMBL6366943 0.85 ADORA2A (0.38) ADORA1PDE5APDE1APDE1BPDE1C
SCHEMBL6365300 0.84 ADORA1 (0.41) ADORA1PDE5APDE1APDE1BPDE1C
SCHEMBL6365678 0.83 TSHR (0.39) ADORA1PDE5APDE1APDE1BPDE1C
SCHEMBL6366291 0.80 PDE9A (0.46) ADORA1PDE5APDE1APDE1BPDE1C
SCHEMBL6366219 0.80 ADORA1 (0.43) ADORA1PDE5APDE1APDE1BPDE1C
SCHEMBL17604146 0.79 ADORA1 (0.31) ADORA1PDE5APDE1APDE1BPDE1C
SCHEMBL17604244 0.79 ADORA1 (0.35) ADORA1PDE1CADORA2AADORA2BLMNA
SCHEMBL3492150 0.77 CHEK1 (0.33) PRMT5WDR77PARP1CHEK1
SCHEMBL6368262 0.77 CXCR2 (0.38) PDE5APDE1APDE1BPDE1CPARP1

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-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 — — US disclosed
US-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 — — 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-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE PDE3A, PDE5A, PDE2A PRMT5 580/4885WDR77 1629/4885ADORA1 2644/4885

“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.

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