SCHEMBL3609154

SCHEMBL3609154

N#Cc1cc(-c2ccnc(-c3cc4ccccc4o3)c2)n(OC(=O)C(F)(F)F)c1N1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 5/20 0.38
MKNK2 Q9HBH9 4/20 0.38
EIF4E P06730 2/20 0.38
BACE1 P56817 3/20 0.36
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
PRKD1 Q15139 1/20 0.33
PRKD2 Q9BZL6 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
STS P08842 1/20 0.33
CA9 Q16790 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32

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
SCHEMBL3621527 0.84 MAPKAPK2 (0.39) MKNK1MKNK2IRAK4PRKD1PRKD2
SCHEMBL3616680 0.81 SCN9A (0.37) PRKD1PRKD2ALDH1A1MAPKAPK2
SCHEMBL3618308 0.81 PRKD1 (0.39) IRAK4PRKD1PRKD2ALDH1A1
SCHEMBL3610010 0.80 PIM1 (0.34) ALDH1A1KDM4EMAPKAPK2
SCHEMBL3615876 0.80 USP30 (0.34) ALDH1A1
SCHEMBL3619398 0.79 IRAK4 (0.36) IRAK4PRKD1PRKD2ALDH1A1GABRA1
SCHEMBL3620824 0.79 CDK9 (0.35) IRAK4PRKD1PRKD2ALDH1A1
Trifluoroacetic Acid SCHEMBL3609151 0.79 BACE1 (0.41) MKNK1MKNK2EIF4EBACE1NPC1
SCHEMBL3620396 0.79 PRKCQ (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL3618389 0.79 BRAF (0.35) IRAK4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US claimed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP claimed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 WO claimed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP disclosed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 WO 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 (1 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-20100105664-A1 ORGANIC COMPOUNDS SLCO1B3, SLCO1B1, SLC10A6 MKNK1 4706/4885MKNK2 4808/4885EIF4E 483/4885

“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.