SCHEMBL3340311

SCHEMBL3340311

Cc1c(N)cc(-c2ccn[nH]c2=O)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.36
PDE3B Q13370 7/20 0.36
PDE3A Q14432 7/20 0.36
AURKB Q96GD4 4/20 0.35
INCENP Q9NQS7 4/20 0.35
P2RX7 Q99572 2/20 0.34
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
AURKA O14965 3/20 0.32
TTK P33981 3/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 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
SCHEMBL3340308 0.81 BTK (0.38) NOTUMP2RX7PIK3R2
SCHEMBL3342950 0.81 BRD4 (0.43) NOTUMPDE3BPDE3AAURKBINCENP
SCHEMBL14955413 0.80 NOTUM (0.43) NOTUMPDE3BPDE3AP2RX7RPS6KA3
SCHEMBL3344619 0.78 LMNA (0.50) PDE3BPDE3AAURKBINCENPP2RX7
SCHEMBL3348222 0.76 BRD4 (0.36) PDE3BPDE3AAURKBINCENPP2RX7
SCHEMBL3094563 0.75 NOTUM (0.56) NOTUMPDE3BPDE3AP2RX7PIK3CB
SCHEMBL2326304 0.75 NOTUM (0.40) NOTUMPDE3BPDE3AAURKBINCENP
SCHEMBL2487299 0.71 RXRB (0.43) NOTUMP2RX7LMNATSHRKDM4E
SCHEMBL5070318 0.70 KDR (0.41) PDE3BPDE3AAURKBINCENPLMNA
SCHEMBL17151369 0.70 SCN4A (0.46) NOTUMP2RX7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 NOTUM 4864/4885PDE3B 1330/4885PDE3A 1521/4885

“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.