SCHEMBL3205877

SCHEMBL3205877

CC(=N)Nc1ccc2nc(CCc3ccccc3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.50
ATM Q13315 1/20 0.49
RAB9A P51151 5/20 0.49
KDM4E B2RXH2 3/20 0.49
NPC1 O15118 3/20 0.49
MCHR1 Q99705 2/20 0.42
KCNH2 Q12809 1/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
PLA2G2A P14555 3/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DHFR P00374 1/20 0.40
OPRL1 P41146 1/20 0.39
PRMT3 O60678 1/20 0.39
AURKA O14965 1/20 0.39

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
SCHEMBL3205855 0.90 NPC1 (0.49) PLAUATMRAB9AKDM4ENPC1
SCHEMBL3198296 0.85 PDE10A (0.45) PLAUATMRAB9AKDM4ENPC1
SCHEMBL3196195 0.85 PLAU (0.40) PLAUATMRAB9AKDM4ENPC1
SCHEMBL3194109 0.81 PLAU (0.42) PLAUATMRAB9AKDM4ENPC1
SCHEMBL3202307 0.77 NPC1 (0.46) PLAURAB9AKDM4ENPC1MAPT
SCHEMBL3198902 0.75 MAPT (0.43) RAB9AKDM4ENPC1MCHR1MAPT
SCHEMBL3192202 0.74 RAB9A (0.42) PLAURAB9AKDM4ENPC1MAPT
SCHEMBL3203077 0.73 EPHX2 (0.50) RAB9ANPC1MAPTPOLBSMN1; SMN2
SCHEMBL3204779 0.73 MAPT (0.57) RAB9AKDM4ENPC1MAPTPOLB
SCHEMBL8123880 0.73 DHFR (0.54) PLAURAB9AKDM4ENPC1KCNH2

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 PLAU 3454/4885ATM 4513/4885RAB9A 2198/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 PLAU 3454/4885ATM 4513/4885RAB9A 2198/4885

“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.