SCHEMBL6168961

SCHEMBL6168961

CC(C)(C)OC(=O)n1nc(Cl)c2ccc(N)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
MAP2K4 P45985 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
FAAH O00519 1/20 0.35
POLB P06746 1/20 0.35
BRD4 O60885 2/20 0.35
PDGFRA P16234 1/20 0.35
CDK5 Q00535 1/20 0.35
TYRO3 Q06418 1/20 0.35
RORC P51449 1/20 0.34
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
PBRM1 Q86U86 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
CSNK1A1 P48729 1/20 0.33
GSK3A P49840 1/20 0.33
LIMK1 P53667 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
SCHEMBL426350 0.85 NR1H2 (0.42) NR1H2MAP2K4HSP90AA1HSP90AB1BRD4
SCHEMBL2304349 0.85 ESR2 (0.43) MAP2K4HSP90AA1HSP90AB1FAAHPOLB
SCHEMBL12090381 0.85 MAP2K4 (0.38) MAP2K4HSP90AA1HSP90AB1FAAHPOLB
SCHEMBL12491156 0.82 FAAH (0.36) NR1H2MAP2K4HSP90AA1HSP90AB1FAAH
SCHEMBL7016168 0.81 L3MBTL1 (0.44) MAP2K4FAAHPOLBMEN1KMT2A
SCHEMBL6369557 0.80 MAP2K4 (0.50) NR1H2MAP2K4RORCRETKDR
SCHEMBL30833750 0.80 MAP2K4 (0.39) NR1H2MAP2K4HSP90AA1HSP90AB1FAAH
SCHEMBL6170318 0.80 MAPT (0.44) BRD4GABRG2GABRB3GABRA5MEN1
SCHEMBL12999397 0.79 NR1H2 (0.38) NR1H2MAP2K4HSP90AA1HSP90AB1FAAH
SCHEMBL6480204 0.79 PDGFRA (0.46) MAP2K4HSP90AA1HSP90AB1FAAHBRD4

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
EP-1019045-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-06-08 EP disclosed
US-20030078431-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2003-04-24 US disclosed
US-6500851-B2 ANTICOAGULANT IN MAMMLS ELI LILLY AND COMPANY 2002-12-31 US disclosed
US-20020173518-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2002-11-21 US disclosed
US-6372759-B1 BLOOD COAGULATION FACTOR XA FOR MAMMALS ELI LILLY AND COMPANY 2002-04-16 US 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 (2 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-20020173518-A1 Antithrombotic agents SERPINC1, TFPI, F11 NR1H2 751/4885MAP2K4 4678/4885HSP90AA1 2534/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 NR1H2 751/4885MAP2K4 4678/4885HSP90AA1 2534/4885

“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.