SCHEMBL14091523

SCHEMBL14091523

COC(=O)c1ccc2nc(-c3nc(-c4ccc(F)cc4)cs3)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.53
▸ MMP2 P08253 1/20 0.52
▸ MMP9 P14780 1/20 0.52
▸ MMP8 P22894 1/20 0.52
▸ MMP13 P45452 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ CHEK2 O96017 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ATR Q13535 1/20 0.49
▸ ATM Q13315 1/20 0.48
▸ MAPK13 O15264 1/20 0.48
▸ ALOX5 P09917 1/20 0.48
▸ GCGR P47871 1/20 0.48
▸ MAPK12 P53778 1/20 0.48
▸ MAPK11 Q15759 1/20 0.48
▸ MAPK14 Q16539 1/20 0.48

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
SCHEMBL14091505 0.90 KDM4E (0.60) MMP2MMP9MMP8MMP13SMN1; SMN2
SCHEMBL5698744 0.80 KDM4E (0.59) SMN1; SMN2KDM4EALDH1A1LMNAATM
SCHEMBL14091267 0.79 ATR (0.56) NR4A2CHEK2ALDH1A1LMNAHTT
SCHEMBL20982471 0.78 MMP2 (0.78) NR4A2MMP2MMP9MMP8MMP13
SCHEMBL14532241 0.78 BRD4 (0.44) MMP2MMP9MMP8MMP13SMN1; SMN2
SCHEMBL14091390 0.76 NR4A2 (0.45) NR4A2CHEK2ATRMAPK14HDAC3
SCHEMBL14091388 0.75 HDAC6 (0.62) HPGDNPC1RAB9AMAPK1MEN1
SCHEMBL19982668 0.75 CHEK2 (0.67) NR4A2MMP2MMP9MMP8MMP13
SCHEMBL9954617 0.75 KDM4E (0.56) NR4A2MMP2MMP9MMP8MMP13
SCHEMBL19763371 0.74 CHEK2 (0.72) MMP2MMP9MMP8MMP13SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — 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 (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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 NR4A2 846/4885MMP2 4657/4885MMP9 4152/4885

“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.

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