SCHEMBL19961013

SCHEMBL19961013

COc1cc(CCCN(C)C)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ4 P56696 2/20 0.42
▸ KCNQ5 Q9NR82 2/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ PIK3CD O00329 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
SCHEMBL20080089 0.87 PPARG (0.48) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL19966996 0.87 MAPT (0.44) KCNQ4KCNQ5MAPTMEN1KMT2A
SCHEMBL19930252 0.85 KCNQ4 (0.41) KCNQ4KCNQ5HDAC1HDAC6LMNA
SCHEMBL20080090 0.85 KCNQ4 (0.43) KCNQ4KCNQ5LMNAPPARGPPARA
SCHEMBL19921314 0.84 MAPT (0.46) CHEK1MAPTHDAC1HDAC6MEN1
SCHEMBL15752675 0.81 PYGL (0.48) KCNQ4KCNQ5MAPTMEN1KMT2A
SCHEMBL12044500 0.81 HTT (0.47) KCNQ4KCNQ5MAPTMEN1KMT2A
SCHEMBL29180821 0.81 MTNR1A (0.42) KCNQ4KCNQ5MAPTMEN1KMT2A
SCHEMBL19930248 0.81 MAPT (0.43) KCNQ4KCNQ5CHEK1MAPTMEN1
SCHEMBL6587449 0.79 GAA (0.54) MEN1KMT2AALDH1A1GAAMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-15 — — US disclosed
US-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-15 — — 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-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor EGFR, ERBB2, ERBB4 KCNQ4 3924/4885KCNQ5 3497/4885CHEK1 240/4885

“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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