SCHEMBL19966996

SCHEMBL19966996

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ TNKS2 Q9H2K2 1/20 0.43
▸ CYP4A11 Q02928 1/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ MTNR1A P48039 2/20 0.41
▸ MTNR1B P49286 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ PKM P14618 1/20 0.40

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 0.90 PPARG (0.48) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL15752675 0.87 PYGL (0.48) MAPTIRAK4MTNR1AMTNR1BALDH1A1
SCHEMBL19961013 0.87 KCNQ4 (0.42) MAPTMTNR1AMTNR1BALDH1A1MEN1
SCHEMBL23093086 0.85 SMN1; SMN2 (0.43) MAPTCYP4A11MEN1KMT2AKCNQ4
SCHEMBL12044500 0.84 HTT (0.47) MAPTMTNR1AMTNR1BALDH1A1MEN1
SCHEMBL19930248 0.84 MAPT (0.43) MAPTMTNR1AMTNR1BALDH1A1MEN1
SCHEMBL19921262 0.83 MAPT (0.48) MAPTTNKS2CYP4A11IRAK4MTNR1A
SCHEMBL6587449 0.82 GAA (0.54) MTNR1AMTNR1BALDH1A1MEN1KMT2A
SCHEMBL29180821 0.79 MTNR1A (0.42) MAPTMTNR1AMTNR1BALDH1A1MEN1
SCHEMBL15457550 0.78 EPHX1 (0.57) MAPTALDH1A1MEN1KMT2APIK3CD

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
EP-3312179-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR NANJING SANHOME PHARMACEUTICAL CO LTD (CN) 2019-07-10 — — EP disclosed
EP-3312179-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-25 — — EP 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 MAPT 3083/4885TNKS2 782/4885CYP4A11 1955/4885

“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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