SCHEMBL20753940

SCHEMBL20753940

COc1cncc(C2=CCN(C(=O)CCC(F)(F)F)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 7/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ JAK2 O60674 5/20 0.40
▸ QDPR P09417 1/20 0.40
▸ CYP11B2 P19099 2/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ NAMPT P43490 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL20754050 0.84 JAK1 (0.48) JAK1MEN1KMT2AJAK2CYP11B2
SCHEMBL20744346 0.82 JAK1 (0.55) JAK1MEN1KMT2AJAK2NAMPT
SCHEMBL22324984 0.81 QDPR (0.47) TDP1MEN1KMT2AQDPRCYP11B2
SCHEMBL23865569 0.80 QDPR (0.46) TDP1QDPRCYP11B2CYP11B1NAMPT
SCHEMBL22328944 0.79 JAK1 (0.51) JAK1TDP1MEN1KMT2AJAK2
SCHEMBL20753937 0.79 JAK1 (0.51) JAK1TDP1MEN1KMT2AJAK2
SCHEMBL20753874 0.78 CYP11B2 (0.58) JAK1QDPRCYP11B2NAMPT
SCHEMBL29580862 0.78 CYP11B2 (0.58) JAK1QDPRCYP11B2NAMPT
SCHEMBL20753995 0.78 JAK1 (0.51) JAK1MEN1KMT2AJAK2NAMPT
SCHEMBL20753956 0.74 JAK1 (0.52) JAK1MEN1KMT2AJAK2QDPR

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-3668853-B1 NOVEL COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-09-29 — — EP disclosed
US-20200253967-A1 NOVEL COMPOUNDS BioVersys AG (CH) 2020-08-13 — — US disclosed
WO-2019034701-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-02-21 — — WO 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-20200253967-A1 NOVEL COMPOUNDS FNTB, SDHA, FDPS JAK1 2904/4885TDP1 3806/4885MEN1 2095/4885

“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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