SCHEMBL3202540

SCHEMBL3202540

CC(=N)Nc1ccc2ccc(-c3cccc(F)c3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
MAP4K4 O95819 6/20 0.43
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
TP53 P04637 1/20 0.43
STAT1 P42224 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.40
AR P10275 1/20 0.40
MCL1 Q07820 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.40
BRAF P15056 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
JAK2 O60674 1/20 0.39
TRPV3 Q8NET8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 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
SCHEMBL3198792 0.91 NPC1 (0.48) CNR1MAP4K4NPC1RAB9ATP53
SCHEMBL3183035 0.85 TRPV1 (0.46) CNR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL3191039 0.85 CNR1 (0.47) CNR1NPC1RAB9ATP53STAT1
SCHEMBL3183353 0.85 CNR1 (0.54) CNR1NPC1RAB9ATP53STAT1
SCHEMBL3194858 0.82 ADORA3 (0.46) CNR1MAP4K4NPC1RAB9ASMN1; SMN2
SCHEMBL3196621 0.79 MAPT (0.51) NPC1RAB9ATP53SMN1; SMN2POLB
SCHEMBL3191236 0.79 ADORA2A (0.44) NPC1RAB9ATP53STAT1SMN1; SMN2
SCHEMBL3196237 0.78 CNR1 (0.44) CNR1NPC1RAB9ATP53STAT1
SCHEMBL3193595 0.77 CNR1 (0.51) CNR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3204497 0.77 MAPT (0.65) NPC1RAB9ATP53SMN1; SMN2POLB

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 CNR1 74/4885MAP4K4 1069/4885NPC1 4082/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 CNR1 74/4885MAP4K4 1069/4885NPC1 4082/4885

“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.