SCHEMBL20047540

SCHEMBL20047540

CC(C)c1ncc2cc(C(C)(C)C)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 10/20 0.38
LCK P06239 1/20 0.37
KIT P10721 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
POLB P06746 1/20 0.36
KCNH2 Q12809 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
METAP2 P50579 1/20 0.35
ALOX5AP P20292 1/20 0.34
BACE1 P56817 1/20 0.33
PDE10A Q9Y233 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL888951 0.77 NPC1 (0.41) SCN10AAAK1PDE10AMEN1KMT2A
SCHEMBL18177013 0.77 SCN10A (0.39) SCN10ALCKKITSRCKDR
SCHEMBL12810151 0.77 CYP1A2 (0.50) AAK1BACE1MEN1KMT2AALDH1A1
SCHEMBL4548606 0.77 SCN10A (0.39) SCN10ALCKKITSRCKDR
SCHEMBL23896784 0.76 AAK1 (0.36) AAK1PDE10A
SCHEMBL10024930 0.76 SCN10A (0.39) SCN10AKCNH2AAK1METAP2BACE1
SCHEMBL2609296 0.76 HTR3A (0.48) LCKKITSRCAAK1PDE10A
SCHEMBL19104136 0.76 ALDH1A1 (0.42) SCN10ALCKKITSRCKDR
SCHEMBL179533 0.76 LCK (0.52) SCN10ALCKKITSRCKDR
SCHEMBL21161211 0.75 ALOX5AP (0.35) SCN10APOLBKCNH2ALOX5APMEN1

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 3305/4885LCK 3101/4885KIT 3425/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 SCN10A 3305/4885LCK 3101/4885KIT 3425/4885
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, GPBAR1 SCN10A 2962/4885LCK 2739/4885KIT 3423/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 SCN10A 3305/4885LCK 3101/4885KIT 3425/4885
US-11572370-B2 CD16A binding agents and uses thereof FCGR1A, FCGR2A, FCGR3B SCN10A 2137/4885LCK 211/4885KIT 811/4885
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof SLC10A1, NR1H4, GPBAR1 SCN10A 2962/4885LCK 2739/4885KIT 3423/4885

“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.