SCHEMBL3620666

SCHEMBL3620666

N#Cc1cc(-c2ccnc(-c3ccc(C(=O)N4CCCC4)cc3)c2)n(OC(=O)C(F)(F)F)c1N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.42
CDK8 P49336 2/20 0.42
TGFBR1 P36897 2/20 0.41
MKNK1 Q9BUB5 3/20 0.40
MKNK2 Q9HBH9 3/20 0.40
CYP3A4 P08684 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
RAD52 P43351 1/20 0.39
UBE2N P61088 1/20 0.39
ABL1 P00519 3/20 0.39
BCR P11274 3/20 0.39
KCNH2 Q12809 3/20 0.37
SLC6A7 Q99884 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KDM4E B2RXH2 1/20 0.35
KDM1A O60341 1/20 0.35
EGLN2 Q96KS0 1/20 0.35

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 0.93 PRKCQ (0.37) CCNCCDK8TGFBR1L3MBTL1RAD52
SCHEMBL3618587 0.89 FASN (0.35) CCNCCDK8TGFBR1L3MBTL1RAD52
SCHEMBL3614882 0.88 RXFP1 (0.33) CCNCCDK8TGFBR1MKNK1MKNK2
SCHEMBL3619398 0.85 IRAK4 (0.36) KCNH2
SCHEMBL3614596 0.85 IKBKB (0.36) KCNH2
SCHEMBL3618177 0.85 IRAK4 (0.36) KCNH2KDM4E
SCHEMBL3624429 0.85 IRAK4 (0.36) KCNH2KDM4E
SCHEMBL3616680 0.84 SCN9A (0.37) ABL1
SCHEMBL3618308 0.84 PRKD1 (0.39)
SCHEMBL3610010 0.83 PIM1 (0.34) UBE2NKDM4E

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 CCNC 1371/4885CDK8 1203/4885TGFBR1 2158/4885

“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.