SCHEMBL3198291

SCHEMBL3198291

CC(=N)Nc1ccc2nc(C(C)c3ccccc3)cnc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
MAPT P10636 5/20 0.42
KDM4E B2RXH2 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PABPC1 P11940 1/20 0.42
TP53 P04637 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
QPCT Q16769 1/20 0.37
OGA O60502 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 2/20 0.35
STAT1 P42224 1/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL3194102 0.79 RAB9A (0.38) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL3194098 0.76 RAB9A (0.55) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL3198902 0.76 MAPT (0.43) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL3203073 0.74 TRPV1 (0.44) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL3204773 0.74 RAB9A (0.47) NPC1RAB9AMAPTKDM4ETP53
SCHEMBL3198296 0.72 PDE10A (0.45) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL3190260 0.72 KDM4E (0.42) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL3190251 0.72 KDM4E (0.42) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL3205818 0.70 ALDH1A1 (0.39) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL3195930 0.69 RAB9A (0.52) NPC1RAB9AMAPTMEN1KMT2A

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 2198/4885MAPT 4542/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 NPC1 4082/4885RAB9A 2198/4885MAPT 4542/4885

“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.