SCHEMBL3617867

SCHEMBL3617867

CC(C)(C)OC(=O)NC1CCN(c2[nH]c(-c3ccnc(Cl)c3)cc2C#N)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.45
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
JAK3 P52333 1/20 0.42
BTK Q06187 1/20 0.42
SUV39H2 Q9H5I1 4/20 0.41
KCNA3 P22001 1/20 0.40
NSD2 O96028 1/20 0.40
DRD2 P14416 3/20 0.40
CTSK P43235 2/20 0.39
AAK1 Q2M2I8 1/20 0.39
CFTR P13569 1/20 0.39
PARP1 P09874 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL3612836 0.96 JAK3 (0.47) RETCKS1BSKP1SKP2JAK3
SCHEMBL14282909 0.87 CKS1B (0.45) RETCKS1BSKP1SKP2BTK
SCHEMBL3616822 0.84 NR1H2 (0.47) RET
SCHEMBL3611893 0.84 RET (0.40) RETCKS1BSKP1SKP2SUV39H2
SCHEMBL3611886 0.84 RET (0.40) RETCKS1BSKP1SKP2SUV39H2
SCHEMBL14283184 0.82 BTK (0.43) CKS1BSKP1SKP2JAK3BTK
SCHEMBL13408151 0.81 NR1H2 (0.44) RETCKS1BSKP1SKP2
SCHEMBL3617304 0.80 KCNMA1 (0.44) RET
SCHEMBL13408145 0.80 SUV39H2 (0.40) RETJAK3BTKSUV39H2CTSK
SCHEMBL3618285 0.77 ROCK2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
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 RET 372/4885CKS1B 3284/4885SKP1 2229/4885

“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.