SCHEMBL17668487

SCHEMBL17668487

O=C(Cl)c1ccc(OC(F)F)cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX15 P16050 1/20 0.41
GFER P55789 1/20 0.41
ADAM17 P78536 1/20 0.41
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
GRM4 Q14833 1/20 0.40
BACE1 P56817 12/20 0.40
SCN9A Q15858 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
ABL1 P00519 1/20 0.39
KCNH2 Q12809 3/20 0.38
CYP2D6 P10635 2/20 0.38
BACE2 Q9Y5Z0 2/20 0.37
P4HTM Q9NXG6 1/20 0.37

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
SCHEMBL287558 0.84 P4HTM (0.53) KMT2AALOX15GFERADAM17P4HTM
SCHEMBL2588671 0.83 KMT2A (0.49) LMNAKMT2AALOX15GFERADAM17
SCHEMBL18496815 0.80 P4HTM (0.42) BACE1P4HTM
SCHEMBL30640076 0.80 MAPK1 (0.56) LMNAKMT2AALOX15GFERADAM17
SCHEMBL2108310 0.80 MAPK1 (0.56) LMNAKMT2AALOX15GFERADAM17
SCHEMBL7709287 0.79 ABL1 (0.39) LMNAKMT2AALOX15GFERADAM17
Formic Acid SCHEMBL2584800 0.78 KMT2A (0.44) LMNAKMT2AALOX15GFERADAM17
SCHEMBL21096166 0.77 KMT2A (0.56) LMNAKMT2AGRM4BACE1BACE2
SCHEMBL11192069 0.77 DRD3 (0.46) KMT2AP4HTM
SCHEMBL2891190 0.76 GABRA1 (0.46) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696691-B2 BACE1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-06-30 US disclosed
US-20190270757-A1 BACE1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-09-05 US disclosed
EP-3334742-B1 BACE1 INHIBITORS HOFFMANN LA ROCHE (CH) 2019-05-08 EP disclosed
CN-106795177-B BACE1 inhibitors 豪夫迈·罗氏有限公司 2019-04-23 CN disclosed
US-10246468-B2 BACE1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2019-04-02 US disclosed
US-20190002476-A1 BACE1 INHIBITORS HOFFMANN-LA ROCHE INC. 2019-01-03 US disclosed
EP-3204391-B1 BACE1 INHIBITORS HOFFMANN LA ROCHE (CH) 2018-08-29 EP disclosed
EP-3334742-A1 BACE1 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2018-06-20 EP disclosed
CN-107683283-A Bace1 inhibitor 豪夫迈·罗氏有限公司 2018-02-09 CN disclosed
EP-3204391-A1 BACE1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2017-08-16 EP disclosed
CN-106795177-A BACE1 inhibitors 豪夫迈·罗氏有限公司 2017-05-31 CN disclosed
WO-2017025491-A1 BACE1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-02-16 WO disclosed
US-9540397-B2 BACE1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2017-01-10 US disclosed
WO-2016055496-A1 BACE1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2016-04-14 WO disclosed
US-20160102105-A1 BACE1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2016-04-14 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 (5 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-10696691-B2 BACE1 inhibitors BACE1, BACE2, APP LMNA 1143/4885KMT2A 2749/4885ALOX15 1428/4885
US-10246468-B2 BACE1 inhibitors BACE1, BACE2, APP LMNA 1187/4885KMT2A 2748/4885ALOX15 1323/4885
US-20160102105-A1 BACE1 INHIBITORS BACE1, BACE2, APP LMNA 1143/4885KMT2A 2749/4885ALOX15 1428/4885
US-20190270757-A1 BACE1 INHIBITORS BACE1, BACE2, APP LMNA 1143/4885KMT2A 2749/4885ALOX15 1428/4885
US-20190002476-A1 BACE1 INHIBITORS BACE1, BACE2, APP LMNA 1143/4885KMT2A 2749/4885ALOX15 1428/4885

“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.