SCHEMBL19461871

SCHEMBL19461871

CCOC(=O)c1c[nH]c(=O)nc1CC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ GABRA1 P14867 2/20 0.47
▸ GABRB2 P47870 2/20 0.47
▸ CLEC4M Q9H2X3 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ TSHR P16473 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GABRB1 P18505 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ JUN P05412 2/20 0.43
▸ NFKB1 P19838 2/20 0.43
▸ NFKB2 Q00653 2/20 0.43

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
SCHEMBL9443841 0.81 MEN1 (0.50) KMT2AMEN1GABRA1GABRB2CLEC4M
SCHEMBL3356162 0.77 KMT2A (0.49) KMT2AMEN1GABRA1GABRB2KDM4E
SCHEMBL15215750 0.74 KMT2A (0.52) KMT2AMEN1GABRA1GABRB2CLEC4M
SCHEMBL7354531 0.73 TSHR (0.53) KMT2AMEN1GABRA1GABRB2CYP1A2
SCHEMBL15015768 0.73 MEN1 (0.51) KMT2AMEN1GABRA1GABRB2CLEC4M
SCHEMBL2845477 0.72 MEN1 (0.50) KMT2AMEN1GABRA1GABRB2CLEC4M
SCHEMBL7284781 0.72 GABRA1 (0.53) KMT2AMEN1GABRA1GABRB2CLEC4M
SCHEMBL15333212 0.70 KMT2A (0.53) KMT2AMEN1GABRA1GABRB2CLEC4M
SCHEMBL23666780 0.70 GABRP (0.66) KMT2AMEN1GABRA1GABRB2CYP1A2
SCHEMBL8394409 0.70 HSP90AA1 (0.55) KMT2AMEN1CYP1A2CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191449-B1 COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-07-01 — — EP disclosed
CN-107250110-B Novel compounds as inhibitors of transfection Rearrangement (RET) 葛兰素史克知识产权发展有限公司 2020-04-24 — — CN disclosed
US-10294236-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-05-21 — — US disclosed
US-20180099976-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-12 — — US disclosed
US-9879021-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-01-30 — — US disclosed
US-20170298074-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-19 — — 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 (3 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-10294236-B2 Compounds as rearranged during transfection (RET) inhibitors RET, FER, THRB KMT2A 2276/4885MEN1 187/4885GABRA1 1545/4885
US-20170298074-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS RET, FER, THRB KMT2A 2386/4885MEN1 188/4885GABRA1 1820/4885
US-20180099976-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS RET, FER, THRB KMT2A 2386/4885MEN1 188/4885GABRA1 1820/4885

“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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