SCHEMBL20470819

SCHEMBL20470819

Cc1cc(C#N)cnc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 6/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HPGDS O60760 2/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SSTR4 P31391 1/20 0.36
RAF1 P04049 1/20 0.35
KIF11 P52732 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CFB P00751 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
GRM5 P41594 1/20 0.33
PTGER4 P35408 1/20 0.33

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
SCHEMBL24177962 0.82 HTT (0.39) EGLN2HTTKDM4EALDH1A1L3MBTL1
SCHEMBL12772451 0.82 KDM4E (0.39) EGLN2HTTKDM4EALDH1A1L3MBTL1
SCHEMBL22550772 0.81 HTT (0.38) EGLN2HTTKDM4EALDH1A1L3MBTL1
SCHEMBL21718949 0.81 HTT (0.55) EGLN2HTTKDM4EALDH1A1L3MBTL1
SCHEMBL21718820 0.81 HTT (0.38) EGLN2HTTKDM4EALDH1A1L3MBTL1
SCHEMBL21719026 0.78 EGLN2 (0.37) EGLN2HTTKDM4EALDH1A1L3MBTL1
SCHEMBL20388869 0.78 HPGDS (0.49) EGLN2HTTHPGDSCYP11B1CYP11B2
SCHEMBL30624366 0.77 HTT (0.44) EGLN2HTTKDM4EALDH1A1L3MBTL1
SCHEMBL846133 0.77 HTT (0.44) EGLN2HTTKDM4EALDH1A1L3MBTL1
SCHEMBL20271035 0.75 EGLN2 (0.35) EGLN2HTTKDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548903-B2 Bicyclic thiazine and oxazine derivatives as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2023-01-10 US disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 US disclosed
US-20200199153-A1 BICYCLIC THIAZINE AND OXAZINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2020-06-25 US disclosed
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-04 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 US disclosed
US-10246429-B2 Vinyl fluoride cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2019-04-02 US disclosed
US-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2018-08-09 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 (8 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-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP EGLN2 4682/4885HTT 2229/4885KDM4E 2378/4885
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 EGLN2 644/4885HTT 2840/4885KDM4E 902/4885
US-10246429-B2 Vinyl fluoride cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use BACE1, BACE2, APP EGLN2 4682/4885HTT 2229/4885KDM4E 2378/4885
US-20200199153-A1 BICYCLIC THIAZINE AND OXAZINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP EGLN2 4291/4885HTT 2010/4885KDM4E 4361/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK EGLN2 857/4885HTT 432/4885KDM4E 595/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK EGLN2 857/4885HTT 432/4885KDM4E 595/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 EGLN2 644/4885HTT 2840/4885KDM4E 902/4885
US-11548903-B2 Bicyclic thiazine and oxazine derivatives as beta-secretase inhibitors and methods of use BACE1, BACE2, APP EGLN2 4291/4885HTT 2010/4885KDM4E 4361/4885

“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.