SCHEMBL3616680

SCHEMBL3616680

CC(=O)c1cccc(-c2cc(-c3cc(C#N)c(N4CCNCC4)n3OC(=O)C(F)(F)F)ccn2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.37
BRAF P15056 1/20 0.36
FYN P06241 5/20 0.35
MAPKAPK2 P49137 1/20 0.35
PIM1 P11309 1/20 0.34
CDK9 P50750 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
USP30 Q70CQ3 2/20 0.33
DPP4 P27487 2/20 0.33
ABL1 P00519 1/20 0.33
PRKD1 Q15139 1/20 0.33
PRKD2 Q9BZL6 1/20 0.33
SYK P43405 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL3620396 0.90 PRKCQ (0.37) SCN9AALDH1A1ABL1
SCHEMBL3618818 0.89 NPC1 (0.38) SCN9ABRAFPIM1CDK9ALDH1A1
SCHEMBL3615876 0.87 USP30 (0.34) SCN9ABRAFPIM1CDK9ALDH1A1
SCHEMBL3620824 0.85 CDK9 (0.35) PIM1CDK9ALDH1A1PRKD1PRKD2
SCHEMBL3618308 0.85 PRKD1 (0.39) PIM1CDK9ALDH1A1PRKD1PRKD2
SCHEMBL3614596 0.85 IKBKB (0.36) PIM1CDK9ALDH1A1
SCHEMBL3620666 0.84 CCNC (0.42) ABL1
SCHEMBL3619398 0.84 IRAK4 (0.36) PIM1CDK9ALDH1A1PRKD1PRKD2
SCHEMBL3621527 0.83 MAPKAPK2 (0.39) MAPKAPK2PIM1ALDH1A1PRKD1PRKD2
SCHEMBL3624429 0.83 IRAK4 (0.36) PIM1CDK9ALDH1A1PRKD1PRKD2

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 SCN9A 819/4885BRAF 688/4885FYN 2560/4885

“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.