SCHEMBL3614596

SCHEMBL3614596

CS(=O)(=O)c1ccc(-c2cc(-c3cc(C#N)c(N4CCNCC4)n3OC(=O)C(F)(F)F)ccn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.36
CHUK O15111 3/20 0.36
PIM1 P11309 2/20 0.35
CDK9 P50750 2/20 0.35
LRRK2 Q5S007 4/20 0.35
PTGS2 P35354 3/20 0.34
ALDH1A1 P00352 1/20 0.34
NMT1 P30419 1/20 0.33
SLC6A9 P48067 1/20 0.33
KCNH2 Q12809 1/20 0.33
CDC7 O00311 1/20 0.33
PTGS1 P23219 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
SCHEMBL3618818 0.91 NPC1 (0.38) PIM1CDK9ALDH1A1KCNH2
SCHEMBL3618065 0.88 IKBKB (0.41) IKBKBCHUKLRRK2ALDH1A1
SCHEMBL3610010 0.85 PIM1 (0.34) PIM1CDK9ALDH1A1CDC7
SCHEMBL3620666 0.85 CCNC (0.42) KCNH2
SCHEMBL3620824 0.85 CDK9 (0.35) PIM1CDK9ALDH1A1CDC7
SCHEMBL3616680 0.85 SCN9A (0.37) PIM1CDK9ALDH1A1
SCHEMBL3618308 0.84 PRKD1 (0.39) PIM1CDK9ALDH1A1CDC7
SCHEMBL3619398 0.83 IRAK4 (0.36) PIM1CDK9ALDH1A1KCNH2CDC7
SCHEMBL3618177 0.82 IRAK4 (0.36) PIM1CDK9ALDH1A1KCNH2CDC7
SCHEMBL3624429 0.82 IRAK4 (0.36) PIM1CDK9ALDH1A1KCNH2CDC7

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 IKBKB 1761/4885CHUK 1366/4885PIM1 837/4885

“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.