SCHEMBL5616134

SCHEMBL5616134

O=C(NCc1ccc(OCCN2CCOCC2)cc1)c1cc(C(=O)NCc2ccc3c(c2)CCO3)ncn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ ROCK2 O75116 1/20 0.47
▸ ROCK1 Q13464 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ SRC P12931 2/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ TUBB4A P04350 1/20 0.46
▸ TUBB P07437 1/20 0.46
▸ LYN P07948 1/20 0.46
▸ TUBA3C P0DPH7 1/20 0.46
▸ BCR P11274 1/20 0.46
▸ TUBA1B P68363 1/20 0.46
▸ TUBA4A P68366 1/20 0.46
▸ TUBB4B P68371 1/20 0.46
▸ TUBB3 Q13509 1/20 0.46
▸ TUBB2A Q13885 1/20 0.46
▸ TUBB8 Q3ZCM7 1/20 0.46
▸ TUBA3E Q6PEY2 1/20 0.46
▸ TUBA1A Q71U36 1/20 0.46

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
SCHEMBL5617747 0.94 MMP13 (0.47) KDM1AHDAC1ROCK2ROCK1MMP13
SCHEMBL4719592 0.86 MET (0.54) RAB9AEGLN1HTR1A
SCHEMBL4719943 0.85 RAB9A (0.50) RAB9AEGLN1SMN1; SMN2
SCHEMBL8358827 0.83 RAB9A (0.61) KDM1AMMP13RAB9AEGLN1AURKA
SCHEMBL4718388 0.82 RAB9A (0.52) KDM1AHDAC1ROCK2MMP13RAB9A
SCHEMBL4715686 0.80 HPGD (0.52) RAB9AEGLN1AURKARPS6KB1NPC1
SCHEMBL5615885 0.79 RAB9A (0.54) ROCK2MMP13RAB9AEGLN1AURKA
SCHEMBL4718511 0.79 RAB9A (0.59) KDM1AMMP13RAB9AEGLN1AURKA
SCHEMBL4718358 0.79 RAB9A (0.59) MMP13RAB9AEGLN1AURKARPS6KB1
SCHEMBL5616141 0.79 RAB9A (0.56) MMP13RAB9AEGLN1AURKARPS6KB1

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
US-7166609-B2 Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-23 — — US claimed
US-20040167120-A1 Novel Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 — — US claimed
US-7166609-B2 Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-23 — — US disclosed
US-7166609-B2 Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-23 — — US disclosed
US-7166609-B2 Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-23 — — 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-20040167120-A1 Novel Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases MMP13, DPYD, MMP1 KDM1A 306/4885HDAC1 924/4885ROCK2 3577/4885

“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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