SCHEMBL4548606

SCHEMBL4548606

CC(C)(C)c1ccc2nc(C(C)(C)C)ncc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 10/20 0.39
KCNH2 Q12809 1/20 0.39
METAP2 P50579 1/20 0.37
LCK P06239 1/20 0.36
KIT P10721 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
PDE10A Q9Y233 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX5AP P20292 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
LRRK2 Q5S007 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
SCHEMBL12173606 0.86 LCK (0.44) LCKKITSRCKDRALDH1A1
SCHEMBL20047636 0.82 CNR2 (0.33) SCN10ALCKKITSRCKDR
SCHEMBL24974561 0.82 SCN10A (0.36) SCN10AKCNH2METAP2LCKKIT
SCHEMBL18177013 0.81 SCN10A (0.39) SCN10AKCNH2METAP2LCKKIT
SCHEMBL23502474 0.80 ESR1 (0.31) SCN10A
SCHEMBL19104136 0.80 ALDH1A1 (0.42) SCN10AKCNH2METAP2LCKKIT
SCHEMBL10220264 0.80 BACE1 (0.42) METAP2ALDH1A1ADORA2AADORA1
SCHEMBL179533 0.80 LCK (0.52) SCN10AKCNH2LCKKITSRC
SCHEMBL20047504 0.77 NPC1 (0.38) SCN10APDE10AALDH1A1HSD17B10ADORA2A
SCHEMBL25449364 0.77 LCK (0.41) SCN10AKCNH2METAP2LCKKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572370-B2 CD16A binding agents and uses thereof BIOHAVEN THERAPEUTICS LTD. (US) 2023-02-07 US disclosed
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-15 US disclosed
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2019-06-27 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 US disclosed
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 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 (7 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 SCN10A 3305/4885KCNH2 4528/4885METAP2 1390/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 SCN10A 3305/4885KCNH2 4528/4885METAP2 1390/4885
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, GPBAR1 SCN10A 2962/4885KCNH2 4411/4885METAP2 1826/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET SCN10A 4439/4885KCNH2 4774/4885METAP2 147/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 SCN10A 3305/4885KCNH2 4528/4885METAP2 1390/4885
US-11572370-B2 CD16A binding agents and uses thereof FCGR1A, FCGR2A, FCGR3B SCN10A 2137/4885KCNH2 4240/4885METAP2 2208/4885
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof SLC10A1, NR1H4, GPBAR1 SCN10A 2962/4885KCNH2 4411/4885METAP2 1826/4885

“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.