SCHEMBL4595467

SCHEMBL4595467

COC(=O)c1cnc(C(C)(C)C)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 3/20 0.43
ATM Q13315 1/20 0.43
TSHR P16473 1/20 0.42
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA12 O43570 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 1/20 0.40
PSMD14 O00487 1/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
NFKB1 P19838 1/20 0.39
XDH P47989 1/20 0.39

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
SCHEMBL26151999 0.86 MAPK1 (0.50) MAPK1KDM4EL3MBTL1ALDH1A1ATM
SCHEMBL26152002 0.85 MAPK1 (0.49) MAPK1KDM4EL3MBTL1ALDH1A1ATM
SCHEMBL26154953 0.85 MAPK1 (0.49) MAPK1KDM4EL3MBTL1ALDH1A1ATM
SCHEMBL5657820 0.82 MAPK1 (0.50) MAPK1KDM4EL3MBTL1ALDH1A1ATM
SCHEMBL3564942 0.79 CYP2C9 (0.47) MAPK1KDM4EALDH1A1TSHRCA1
SCHEMBL4128911 0.77 MAPK1 (0.57) MAPK1KDM4EL3MBTL1ALDH1A1ATM
SCHEMBL14850502 0.77 MAPK1 (0.57) MAPK1KDM4EL3MBTL1ALDH1A1ATM
SCHEMBL1434818 0.77 ALDH1A1 (0.52) KDM4EALDH1A1MAPTPOLB
SCHEMBL14782142 0.77 MAPK1 (0.57) MAPK1KDM4EL3MBTL1ALDH1A1ATM
SCHEMBL20757528 0.76 BAZ2B (0.45) TSHRPSMD14

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-20220235032-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2022-07-28 US disclosed
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2011-01-27 US disclosed
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2009-11-12 US disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
EP-1555259-B1 Malononitrile compounds as pesticides SUMITOMO CHEMICAL CO (JP) 2008-01-02 EP disclosed
EP-1555259-A1 Malononitrile compounds as pesticides Sumitomo Chemical Company, Limited (JP) 2005-07-20 EP 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 (4 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-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 PTGER1, CYP3A5, SULT1E1 MAPK1 2066/4885KDM4E 1469/4885L3MBTL1 3339/4885
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 MAPK1 1592/4885KDM4E 2765/4885L3MBTL1 2098/4885
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 MAPK1 1592/4885KDM4E 2765/4885L3MBTL1 2098/4885
US-20220235032-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF RIPK1, RIPK4, RIPK3 MAPK1 236/4885KDM4E 2795/4885L3MBTL1 4089/4885

“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.