SCHEMBL3202582

SCHEMBL3202582

CC(=N)Nc1ccc2nc(-c3ccccc3F)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.43
ADORA3 P0DMS8 3/20 0.43
BACE1 P56817 1/20 0.41
NPC1 O15118 9/20 0.40
RAB9A P51151 9/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ADORA1 P30542 3/20 0.40
ADORA2B P29275 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MBNL1 Q9NR56 1/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 3/20 0.38
PLAU P00749 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL3191236 0.91 ADORA2A (0.44) ADORA2AADORA3NPC1RAB9AMAPT
SCHEMBL3190104 0.85 ABL1 (0.48) BACE1NPC1RAB9AMAPTALDH1A1
SCHEMBL3202307 0.82 NPC1 (0.46) ADORA2AADORA3NPC1RAB9AMAPT
SCHEMBL3196034 0.82 MAOA (0.54) ADORA3NPC1RAB9AMAPTALDH1A1
SCHEMBL3205673 0.81 KMT2A (0.43) ADORA2AADORA3NPC1RAB9AMAPT
SCHEMBL3194359 0.80 MAOA (0.47) ADORA2AADORA3NPC1RAB9AMAPT
SCHEMBL3198792 0.80 NPC1 (0.48) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL3192267 0.77 MAPT (0.50) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL3203340 0.76 KMT2A (0.56) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL14269740 0.76 MBNL1 (0.50) BACE1NPC1RAB9AMAPTALDH1A1

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 ADORA2A 313/4885ADORA3 185/4885BACE1 1720/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 ADORA2A 313/4885ADORA3 185/4885BACE1 1720/4885

“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.