SCHEMBL17604244

SCHEMBL17604244

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 5/20 0.35
▸ ADORA2B P29275 4/20 0.34
▸ ADORA2A P29274 3/20 0.34
▸ PARP14 Q460N5 1/20 0.34
▸ JAK2 O60674 2/20 0.32
▸ JAK1 P23458 2/20 0.32
▸ TYK2 P29597 2/20 0.32
▸ JAK3 P52333 2/20 0.32
▸ PDE9A O76083 4/20 0.32
▸ PDE1C Q14123 3/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GMNN O75496 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ CACNA1G O43497 4/20 0.31

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
SCHEMBL6365300 0.79 ADORA1 (0.41) ADORA1ADORA2BADORA2APDE1CMEN1
SCHEMBL17604167 0.79 PRMT5 (0.36) ADORA1ADORA2BADORA2APDE1CMEN1
SCHEMBL6365678 0.78 TSHR (0.39) ADORA1ADORA2BADORA2APDE9APDE1C
Hydrochloric Acid SCHEMBL17604355 0.78 PRMT5 (0.35) ADORA1ADORA2BADORA2APDE1C
SCHEMBL6366291 0.75 PDE9A (0.46) ADORA1ADORA2BADORA2APDE9APDE1C
SCHEMBL6366854 0.72 CCR2 (0.39) PARP14PDE9APDE1C
SCHEMBL3492150 0.70 CHEK1 (0.33) —
SCHEMBL6368262 0.70 CXCR2 (0.38) ADORA2BADORA2APARP14PDE9APDE1C
SCHEMBL6367367 0.70 CXCR2 (0.32) ADORA1PARP14PDE1C
SCHEMBL6365889 0.70 PNP (0.44) PARP14PDE9APDE1C

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 ADORA1 2644/4885ADORA2B 2917/4885ADORA2A 1325/4885

“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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