SCHEMBL3604480

SCHEMBL3604480

CC(C)(C)OC(=O)N1CCCN(c2[nH]c(-c3ccnc(C=Cc4ccc(F)cc4)c3)cc2C#N)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
KIT P10721 2/20 0.38
GPR119 Q8TDV5 3/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
SQOR Q9Y6N5 1/20 0.36
RET P07949 5/20 0.36
MAPK3 P27361 1/20 0.36
GRIA1 P42261 1/20 0.36
EGLN2 Q96KS0 1/20 0.36

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
SCHEMBL3604476 1.00 MAPKAPK2 (0.39) MAPKAPK2CCNT1CDK9KITGPR119
SCHEMBL3623096 0.97 MAPKAPK2 (0.41) MAPKAPK2CCNT1CDK9KITGPR119
SCHEMBL3623094 0.97 MAPKAPK2 (0.41) MAPKAPK2CCNT1CDK9KITGPR119
SCHEMBL13442241 0.89 MAPKAPK2 (0.41) MAPKAPK2CCNT1CDK9KITGPR119
SCHEMBL3610339 0.89 KIT (0.46) MAPKAPK2KITGPR119CKS1BSKP1
SCHEMBL3610342 0.89 KIT (0.46) MAPKAPK2KITGPR119CKS1BSKP1
SCHEMBL14283117 0.89 KIT (0.41) MAPKAPK2CCNT1CDK9KITCKS1B
SCHEMBL3616501 0.85 GPR119 (0.40) MAPKAPK2KITGPR119TBK1NR1H2
SCHEMBL3616500 0.85 GPR119 (0.40) MAPKAPK2KITGPR119TBK1NR1H2
SCHEMBL3605830 0.84 MAPKAPK2 (0.48) MAPKAPK2CDK9KITTBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPKAPK2 4395/4885CCNT1 202/4885CDK9 1238/4885

“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.