SCHEMBL3194098

SCHEMBL3194098

CC(=N)Nc1ccc2nc(-c3ccccc3)cnc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TP53 P04637 1/20 0.55
STAT1 P42224 1/20 0.55
TLR9 Q9NR96 1/20 0.55
PDGFRB P09619 1/20 0.54
KDR P35968 1/20 0.54
FLT3 P36888 1/20 0.54
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
JAK2 O60674 1/20 0.50
POLB P06746 1/20 0.50
MCL1 Q07820 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL3201144 0.86 APP (0.46) RAB9ANPC1SMN1; SMN2TP53STAT1
SCHEMBL3195930 0.86 RAB9A (0.52) RAB9ANPC1SMN1; SMN2TP53STAT1
SCHEMBL3191039 0.83 CNR1 (0.47) RAB9ANPC1SMN1; SMN2TP53STAT1
SCHEMBL3202307 0.82 NPC1 (0.46) RAB9ANPC1SMN1; SMN2TP53STAT1
SCHEMBL3201274 0.82 RAB9A (0.45) RAB9ANPC1SMN1; SMN2TP53STAT1
SCHEMBL3191800 0.78 MAOA (0.50) RAB9ANPC1SMN1; SMN2TP53STAT1
SCHEMBL3192975 0.78 MAPT (0.47) RAB9ANPC1SMN1; SMN2TP53STAT1
SCHEMBL3201578 0.78 NPC1 (0.47) RAB9ANPC1SMN1; SMN2TP53STAT1
SCHEMBL3198902 0.77 MAPT (0.43) RAB9ANPC1SMN1; SMN2TP53STAT1
SCHEMBL9822836 0.77 RAB9A (0.61) RAB9ANPC1SMN1; SMN2TP53STAT1

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 RAB9A 2198/4885NPC1 4082/4885SMN1; SMN2 3663/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 RAB9A 2198/4885NPC1 4082/4885SMN1; SMN2 3663/4885

“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.