SCHEMBL3201144

SCHEMBL3201144

CC(=N)Nc1ccc2nc(-c3ccc(F)cc3)cnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.46
MAPK1 P28482 1/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
STAT1 P42224 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
POLB P06746 1/20 0.41
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MCHR1 Q99705 1/20 0.40
JAK2 O60674 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TRPV1 Q8NER1 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
SCHEMBL8499513 0.88 NPC1 (0.58) APPNPC1RAB9ASMN1; SMN2TP53
SCHEMBL3195930 0.87 RAB9A (0.52) APPNPC1RAB9ASMN1; SMN2TP53
SCHEMBL3194098 0.86 RAB9A (0.55) NPC1RAB9ASMN1; SMN2TP53STAT1
SCHEMBL3183035 0.84 TRPV1 (0.46) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL3194359 0.83 MAOA (0.47) APPNPC1RAB9ASMN1; SMN2TP53
SCHEMBL3201274 0.82 RAB9A (0.45) APPNPC1RAB9ASMN1; SMN2TP53
SCHEMBL3196775 0.79 MEN1 (0.40) MAPK1NPC1RAB9ATP53MEN1
SCHEMBL3192617 0.79 TDO2 (0.44) MAPK1NPC1RAB9ATP53MEN1
SCHEMBL15850501 0.76 TLR9 (0.53) APPMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL30107647 0.76 TLR9 (0.53) APPMAPK1NPC1RAB9ASMN1; SMN2

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 APP 2794/4885MAPK1 336/4885NPC1 4082/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 APP 2794/4885MAPK1 336/4885NPC1 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.