SCHEMBL16319374

SCHEMBL16319374

COC(=O)c1cnc(O)c(CCC#N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA14 Q9ULX7 3/20 0.37
PSMD14 O00487 1/20 0.36
CCR6 P51684 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
XDH P47989 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
GFER P55789 1/20 0.36
NFKB2 Q00653 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
SCHEMBL16319350 0.85 MAPK1 (0.38) MAPK1ATMKDM4EL3MBTL1PSMD14
SCHEMBL16318860 0.76 MAPK1 (0.33) MAPK1ATMKDM4EL3MBTL1PSMD14
SCHEMBL6118870 0.75 MAPK1 (0.44) MAPK1ATMKDM4EL3MBTL1CA12
SCHEMBL10208092 0.74 MAPK1 (0.41) MAPK1ATMKDM4EL3MBTL1CA12
SCHEMBL16319150 0.74 DHODH (0.38) KDM4EPOLBALDH1A1HPGDCYP1A2
SCHEMBL6378169 0.72 LMNA (0.51) MAPK1KDM4EL3MBTL1CA1CA2
SCHEMBL29220843 0.71 KDM4E (0.50) MAPK1ATMKDM4EL3MBTL1CA12
SCHEMBL31681411 0.71 ATM (0.53) MAPK1ATMKDM4EL3MBTL1CA12
SCHEMBL19331729 0.70 SMN1; SMN2 (0.45) ATMKDM4EL3MBTL1CA12CA1
SCHEMBL197929 0.69 MAPK1 (0.51) MAPK1ATMKDM4EL3MBTL1CA12

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-9181186-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US disclosed
US-20150045378-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-12 US disclosed
EP-2816032-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 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 (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-20150045378-A1 AROMATIC RING COMPOUND GPR119, GPR27, GPR4 MAPK1 531/4885ATM 3394/4885KDM4E 2012/4885

“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.