SCHEMBL3207427

SCHEMBL3207427

COc1cccc(-c2ccc3cc(NC(C)=N)ccc3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
MAPT P10636 8/20 0.48
HPGD P15428 7/20 0.48
KDM4E B2RXH2 6/20 0.48
KMT2A Q03164 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MEN1 O00255 4/20 0.48
ADORA3 P0DMS8 2/20 0.46
ADORA2B P29275 2/20 0.46
ADORA1 P30542 2/20 0.46
MAP4K4 O95819 1/20 0.46
ADORA2A P29274 1/20 0.46
HTT P42858 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 3/20 0.44
THRB P10828 1/20 0.43
BRAF P15056 2/20 0.43
FYN P06241 1/20 0.42

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
SCHEMBL3194858 0.92 ADORA3 (0.46) ALDH1A1MAPTHPGDKDM4EKMT2A
SCHEMBL3190295 0.86 NPC1 (0.52) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL3202307 0.83 NPC1 (0.46) ALDH1A1MAPTHPGDKDM4EKMT2A
SCHEMBL3183564 0.83 CNR1 (0.50) KMT2ASMN1; SMN2MEN1MAP4K4NPC1
SCHEMBL3198792 0.83 NPC1 (0.48) MAPTKDM4ESMN1; SMN2MAP4K4NPC1
SCHEMBL3206146 0.81 PDGFRB (0.44) ALDH1A1MAPTHPGDKDM4EKMT2A
SCHEMBL3012991 0.80 MAP4K4 (0.57) ALDH1A1MAPTHPGDKDM4EKMT2A
SCHEMBL3196034 0.78 MAOA (0.54) ALDH1A1MAPTHPGDKDM4EKMT2A
SCHEMBL3195915 0.78 SMN1; SMN2 (0.54) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL3201161 0.77 SMN1; SMN2 (0.60) ALDH1A1MAPTHPGDKDM4EKMT2A

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 ALDH1A1 1195/4885MAPT 4542/4885HPGD 89/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 ALDH1A1 1195/4885MAPT 4542/4885HPGD 89/4885

“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.