SCHEMBL3205855

SCHEMBL3205855

CC(=N)Nc1ccc2nc(Cc3ccccc3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
KDM4E B2RXH2 4/20 0.49
ATM Q13315 1/20 0.45
PLAU P00749 2/20 0.44
MAPT P10636 3/20 0.40
BRD4 O60885 1/20 0.38
MCHR1 Q99705 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PABPC1 P11940 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL3205877 0.90 PLAU (0.50) NPC1RAB9AKDM4EATMPLAU
SCHEMBL3198902 0.83 MAPT (0.43) NPC1RAB9AKDM4EMAPTBRD4
SCHEMBL3192202 0.80 RAB9A (0.42) NPC1RAB9AKDM4EPLAUMAPT
SCHEMBL3202307 0.77 NPC1 (0.46) NPC1RAB9AKDM4EPLAUMAPT
SCHEMBL3198296 0.74 PDE10A (0.45) NPC1RAB9AKDM4EATMPLAU
SCHEMBL3196195 0.74 PLAU (0.40) NPC1RAB9AKDM4EATMPLAU
SCHEMBL3194109 0.73 PLAU (0.42) NPC1RAB9AKDM4EATMPLAU
SCHEMBL3190104 0.72 ABL1 (0.48) NPC1RAB9AKDM4EPLAUMAPT
SCHEMBL3193606 0.72 TRPV1 (0.43) NPC1RAB9AMAPT
SCHEMBL3190423 0.72 MAPT (0.52) NPC1RAB9AKDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production MAKOVEC FRANCESCO 2010-05-13 US disclosed
US-7674809-B2 Anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM S.P.A. (IT) 2010-03-09 US disclosed
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM SPA 2005-09-08 US disclosed
EP-1571142-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production Rottapharm S.p.A. (IT) 2005-09-07 EP 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 (2 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-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production NOS3, NOS1, NOS2 NPC1 4082/4885RAB9A 2198/4885KDM4E 3052/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 NPC1 4082/4885RAB9A 2198/4885KDM4E 3052/4885

“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.